Spin-bearing molecules as optically addressable platforms for quantum technologies
Kumar, S. K.; Hunger, D.; Ruben, M.; Goldner, P.; Serrano, D.
2024. Nanophotonics. doi:10.1515/nanoph-2024-0420

Self‐Assembly of four Ni Molecular Wheels with Capsule and Tubular Supramolecular Architectures
Dais, T. N.; Schlittenhardt, S.; Ruben, M.; Anson, C. E.; Powell, A. K.; Plieger, P. G.
2024. Chemistry – An Asian Journal. doi:10.1002/asia.202400381

Synthesis of substituted triazole–pyrazole hybrids using triazenylpyrazole precursors
Gräßle, S.; Holzhauer, L.; Wippert, N.; Fuhr, O.; Nieger, M.; Jung, N.; Bräse, S.
2024. Beilstein Journal of Organic Chemistry, 20, 1396 – 1404. doi:10.3762/bjoc.20.121

Magnetic behaviour of a spin-canted asymmetric lanthanide quinolate trimer
Batista, L.; Paul, S.; Molina-Jirón, C.; Jaén, J. A.; Fenske, D.; Fuhr, O.; Ruben, M.; Wernsdorfer, W.; Moreno-Pineda, E.
2024. Dalton Transactions, 53 (31), 12927–12935. doi:10.1039/D4DT01588F

Microwave-assisted synthesis of 2,5-dioxo-pyrano[3,2-c]quinoline-3-carboxylates and their investigation as antiproliferative agents targeting EGFR and/or BRAF
Aly, A. A.; El-Naby, H. A. A.; Ahmed, E. K.; Shaker, R. M.; Gedamy, S. A.; Youssif, B. G. M.; Gomaa, H. A. M.; Fuhr, O.; Brown, A. B.; Ibrahim, M. A. A.; El-Haleem, L. E. A.
2024. Chemical Papers, 78 (12), 7187–7199. doi:10.1007/s11696-024-03599-9

Spectral Hole‐Burning Studies of a Mononuclear Eu(III) Complex Reveal Narrow Optical Linewidths of the ⁵D₀ → ⁷F₀ Transition and Seconds Long Nuclear Spin Lifetimes
Schlittenhardt, S.; Vasilenko, E.; Unni C., V.; Jobbitt, N.; Fuhr, O.; Hunger, D.; Ruben, M.; Kuppusamy, S. K.
2024. ChemPhysChem, 25 (19), e202400280. doi:10.1002/cphc.202400280

Dual Role of a Novel Heteroleptic Cu(I) Complex in Visible‐Light‐Driven CO₂ Reduction
Bruschi, C.; Gui, X.; Rauthe, P.; Fuhr, O.; Unterreiner, A.-N.; Klopper, W.; Bizzarri, C.
2024. Chemistry – A European Journal, 30 (44), e202400765. doi:10.1002/chem.202400765

Acriflavine Is More than It Seems: Resolving Optical Properties of Multiple Isomeric Constituents at 5 K
Schäfer, A.; Debnath, S.; Tränkle, J.; Mohr, T.; Kappes, M. M.
2024. The Journal of Physical Chemistry Letters, 15 (28), 7295 – 7301. doi:10.1021/acs.jpclett.4c01517

Performance of density-functional-theory and random-phase-approximation methods on the study of transition-metal clusters: the Ta clusters as an example
Flores, J. R.; Schooß, D.; Klopper, W.
2024. Molecular Physics, Art.-Nr.: e2368719. doi:10.1080/00268976.2024.2368719

A new azine-based ferrocenophane for azo dyes degradation in dark–ambient conditions
Sharifi, S.; Mesbah, A. W.; Golsanamlou, S.; Tarlani, A.; Ghassemzadeh, M.; Iravani, E.; Fuhr, O.; Fenske, D.
2024. Surfaces and Interfaces, 51, Art.-Nr.: 104551. doi:10.1016/j.surfin.2024.104551

Gaining Insights into the Interplay between Optical and Magnetic Properties in Photoexcited Coordination Compounds
Braun, J.; Powell, A. K.; Unterreiner, A.-N.
2024. Chemistry – A European Journal, 30 (43), Art.-Nr.: e202400977. doi:10.1002/chem.202400977

Noisy qudit vs multiple qubits: conditions on gate efficiency for enhancing fidelity
Janković, D.; Hartmann, J.-G.; Ruben, M.; Hervieux, P.-A.
2024. npj Quantum Information, 10 (1), Art.-Nr.: 59. doi:10.1038/s41534-024-00829-6

Polymers of Intrinsic Microporosity Containing [2.2]Paracyclophane Moieties: Synthesis and Gas Sorption Properties
Li, Y.; Brückel, J.; Jereb, M.; Zupanc, A.; Hirvonen, S.-P.; Hietala, S.; Kemell, M.; Wu, Y.; Fuhr, O.; Jansen-van Vuuren, R. D.; Carta, M.; Bräse, S.
2024. Advanced Functional Materials, 34 (47), Art.-Nr.: 2401957. doi:10.1002/adfm.202401957

Correction: Computational demonstration of isomer- and spin-state-dependent charge transport in molecular junctions composed of charge-neutral iron( ii ) spin-crossover complexes
Montenegro-Pohlhammer, N.; Kuppusamy, S. K.; Cárdenas-Jirón, G.; Calzado, C. J.; Ruben, M.
2024. Dalton Transactions, 53 (23), 10019. doi:10.1039/d4dt90088j

A bithiophene-substituted porphyrin displaying multi-electron redox processes as a cathode for lithium organic batteries
Chowdhury, S.; Jana, S.; Klyatskaya, S.; Ruben, M.
2024. Journal of Porphyrins and Phthalocyanines, 28 (05), 253–259. doi:10.1142/S1088424624500184

On the Spectroscopy of Phosphaalkynes: Millimeter- and Submillimeter-Wave Study of CHCP
Bonah, L.; Schlemmer, S.; Guillemin, J.-C.; Harding, M. E.; Thorwirth, S.
2024. The Journal of Physical Chemistry A, 128 (24), 4859–4866. doi:10.1021/acs.jpca.4c02566

Substituted Pyrrole‐based Schiff Bases: Effect On The Luminescence Of Neutral Heteroleptic Cu(I) Complexes
Ferraro, V.; Fuhr, O.; Bizzarri, C.; Bräse, S.
2024. European Journal of Inorganic Chemistry, 27 (17), Art.-Nr.: e202400080. doi:10.1002/ejic.202400080

Cycloheptatrienyl-Bridged Triple-Decker Complexes
Hauser, A.; Münzfeld, L.; Schlittenhardt, S.; Uhlmann, C.; Leyen, L.; Moreno-Pineda, E.; Ruben, M.; Roesky, P. W.
2024. Journal of the American Chemical Society, 146 (20), 13760–13769. doi:10.1021/jacs.3c12214

Yb-to-Eu Cooperative Sensitization Upconversion in a Multifunctional Molecular Nonanuclear Lanthanide Cluster in Solution
Panguluri, S. P. K.; Jourdain, E.; Chakraborty, P.; Klyatskaya, S.; Kappes, M. M.; Nonat, A. M.; Charbonnière, L. J.; Ruben, M.
2024. Journal of the American Chemical Society, 146 (19), 13083–13092. doi:10.1021/jacs.3c14527

A Novel Carbazolophane: A Comparison of the Performance of Two Planar Chiral CP‐TADF Emitters
Seibert, J.; Xu, Y.; Hafeez, H.; Podlech, J.; Favereau, L.; Spuling, E.; Waldhelm, C.; Nieger, M.; Fuhr, O.; Hassan, Z.; Crassous, J.; Samuel, I. D. W.; Zysman-Colman, E.; Bräse, S.
2024. Advanced Functional Materials, 34 (47), Art.-Nr.: 2401956. doi:10.1002/adfm.202401956

Continuous flow synthesis of atom-precise platinum clusters
Schmitt, C.; Da Roit, N.; Neumaier, M.; Maliakkal, C. B.; Wang, D.; Henrich, T.; Kübel, C.; Kappes, M.; Behrens, S.
2024. Nanoscale Advances. doi:10.1039/d4na00074a

Correlation Measurements for Carbon Nanotubes with Quantum Defects
Li, M.-K.; Dehm, S.; Kappes, M. M.; Hennrich, F.; Krupke, R.
2024. ACS Nano, 18 (13), 9525–9534. doi:10.1021/acsnano.3c12530

Unique Double and Triple Decker Arrangements of Rare‐Earth 9,10‐Diborataanthracene Complexes Featuring Single‐Molecule Magnet Characteristics
Uhlmann, C.; Münzfeld, L.; Hauser, A.; Ruan, T.-T.; Kumar Kuppusamy, S.; Jin, C.; Ruben, M.; Fink, K.; Moreno-Pineda, E.; Roesky, P. W.
2024. Angewandte Chemie - International Edition, 63 (17), Art.-Nr.: e202401372. doi:10.1002/anie.202401372

Modulating and Accelerating Photolysis of Photoactivatable [2.2]Paracyclophane Aryl Azide in Supramolecular Host for Bioimaging
Qiu, X.; Pohl, E.; Cai, Q.; Seibert, J.; Li, Y.; Leopold, S.; Fuhr, O.; Meier, M. A. R.; Schepers, U.; Bräse, S.
2024. Advanced Functional Materials, Art.-Nr.: 2401938. doi:10.1002/adfm.202401938

Synthesis and characterization of new palladium (II) and silver (I) thiosemicarbazone derived by acenaphthenequinone complexes and their antimicrobial activity
Aly, A. A.; Abdallah, E. M.; Ahmed, S. A.; Rabee, M. M.; Fuhr, O.; Ibrahim, M. A. A.; Ali Alzahrani, H.; Youssif, B. G. M.
2024. Polyhedron, 251, Art.-Nr.: 116851. doi:10.1016/j.poly.2024.116851

Reversing the stereoselectivity of intramolecular [2+2] photocycloaddition utilizing cucurbit[8]uril as a molecular flask
Qiu, X.; Seibert, J.; Fuhr, O.; Biedermann, F.; Bräse, S.
2024. Chemical Communications, 60 (24), 3267–3270. doi:10.1039/D3CC05783F

Synthesis of Mono‐, Di‐, Tri‐, and Tetra‐cationic Pyridinium and Vinylpyridinium Modified [2.2]Paracyclophanes: Modular Receptors for Supramolecular Systems
Wang, Y.; Li, Y.; Fuhr, O.; Nieger, M.; Hassan, Z.; Bräse, S.
2024. ChemistryOpen, 13 (8), e202400024. doi:10.1002/open.202400024

Vibrational properties of a mononuclear dysprosium containing singlemolecule magnet
Tummeley, M. A. M.; Hoock, M. H.; Gröpl, K.; Pfleger, R.; Hochdörffer, T.; Hunsicker, T.; Wolny, J. A.; Zhao, J.; Lavina, B.; Hu, M. Y.; Toellner, T.; Alp, E. E.; Kämmerer, H.; Anson, C. E.; Powell, A. K.; Schünemann, V.
2024. Hyperfine Interactions, 245 (1), 18. doi:10.1007/s10751-024-01857-6

Constructing [2.2]Paracyclophane‐Based Ultrasensitive Optical Fluorescent‐Phosphorescent Thermometer with Cucurbit[8]uril Supramolecular Assembly
Qiu, X.; Zheng, T.; Runowski, M.; Woźny, P.; Martín, I. R.; Soler-Carracedo, K.; Piñero, C. E.; Lebedkin, S.; Fuhr, O.; Bräse, S.
2024. Advanced Functional Materials, 34 (47), Art.-Nr.: 2313517. doi:10.1002/adfm.202313517

π‐Conjugated Metal Free Porphyrin as Organic Cathode for Aluminum Batteries
Chowdhury, S.; Sabi, N.; Rojano, R. C.; Le Breton, N.; Boudalis, A. K.; Klayatskaya, S.; Dsoke, S.; Ruben, M.
2024. Batteries & Supercaps, 7 (4), Art.-Nr.: e202300285. doi:10.1002/batt.202300285

From Mono- to Polynuclear 2-(Diphenylphosphino)pyridine-Based Cu(I) and Ag(I) Complexes: Synthesis, Structural Characterization, and DFT Calculations
Busch, J. M.; Rehak, F. R.; Ferraro, V.; Nieger, M.; Kemell, M.; Fuhr, O.; Klopper, W.; Bräse, S.
2024. ACS Omega, 9 (2), 2220–2233. doi:10.1021/acsomega.3c05755

It’s not just the size that matters: crystal engineering of lanthanide-based coordination polymers
Hauser, A.; Münzfeld, L.; Uhlmann, C.; Lebedkin, S.; Schlittenhardt, S.; Ruan, T.-T.; Kappes, M. M.; Ruben, M.; Roesky, P. W.
2024. Chemical Science, 15 (4), 1338–1347. doi:10.1039/d3sc03746k

Synthesis and Antiproliferative Potential of Thiazole and 4-Thiazolidinone Containing Motifs as Dual Inhibitors of EGFR and BRAFV600E
Hassan, A. A.; Mohamed, N. K.; Aly, A. A.; Ramadan, M.; Gomaa, H. A. M.; Abdel-Aziz, A. T.; Youssif, B. G. M.; Bräse, S.; Fuhr, O.
2023. Molecules, 28 (24), Article no: 7951. doi:10.3390/molecules28247951

Hot luminescence from single-molecule chromophores electrically and mechanically self-decoupled by tripodal scaffolds
Rai, V.; Balzer, N.; Derenbach, G.; Holzer, C.; Mayor, M.; Wulfhekel, W.; Gerhard, L.; Valášek, M.
2023. Nature Communications, 14 (1), Art.-Nr.: 8253. doi:10.1038/s41467-023-43948-y

Vibrationally Resolved Absorption, Fluorescence, and Preresonance Raman Spectroscopy of Isolated Pyronin Y Cation at 5 K
Debnath, S.; Schäfer, A.; Ito, S.; Strelnikov, D.; Schneider, R.; Haupa, K. A.; Kappes, M. M.
2023. The Journal of Physical Chemistry Letters, 14 (47), 10553 – 10560. doi:10.1021/acs.jpclett.3c02651

Selectivity control towards CO versus H for photo-driven CO reduction with a novel Co(II) catalyst
Gracia, L.-L.; Henkel, P.; Fuhr, O.; Bizzarri, C.
2023. Beilstein Journal of Organic Chemistry, 19, 1766–1775. doi:10.3762/bjoc.19.129

Experimental and computational study of the exchange interaction between the V(III) centers in the vanadium-cyclal dimer
Reiß, A.; Reimann, M. K.; Jin, C.; Wachter-Lehn, M.; Kremer, R. K.; Pöttgen, R.; Fink, K.; Klopper, W.; Feldmann, C.
2023. Dalton Transactions, 52 (46), 17389–17397. doi:10.1039/D3DT03243D

Neutral cobalt( ii )-bis(benzimidazole)pyridine field-induced single-ion magnets for surface deposition
Juráková, J.; Fellner, O. F.; Schlittenhardt, S.; Vavrečková, Š.; Nemec, I.; Herchel, R.; Čižmár, E.; Santana, V. T.; Orlita, M.; Gentili, D.; Ruani, G.; Cavallini, M.; Neugebauer, P.; Ruben, M.; Šalitroš, I.
2023. Inorganic Chemistry Frontiers, 10 (18), 5406–5419. doi:10.1039/d3qi00931a

Structures and Properties of a Series of High-Spin [Co II 2 ] Complexes Supported by Ancillary Benzoate, Ortho -Hydroxybenzoate, and Para -Hydroxybenzoate Ligands
Sk, S.; Biswas, S.; Dutta, N.; Das, A.; Suryadevara, N.; Vijaykumar, G.; Bhunia, P.; Ruben, M.; Mandal, S.; Bera, M.
2023. Crystal Growth & Design, 23 (8), 5925–5940. doi:10.1021/acs.cgd.3c00521

Non-Palindromic C∧C∧P Platinum and Palladium Pincer Complexes Showing Intense Phosphorescence via Direct Spin-Forbidden S → T Excitation
Höhn, V.; Feuerstein, W.; Rehak, F. R.; Kehry, M.; Lebedkin, S.; Kappes, M. M.; Klopper, W.; Breher, F.
2023. Inorganic Chemistry, 62 (38), 15627–15640. doi:10.1021/acs.inorgchem.3c02339

Heteroleptic copper(I) complexes with coumarin-substituted aminodiphosphine and diimine ligands: synthesis and photophysical studies
Naina, V. R.; Singh, A. K.; Shubham; Krätschmer, F.; Lebedkin, S.; Kappes, M. M.; Roesky, P. W.
2023. Dalton Transactions, 52 (36), 12618–12622. doi:10.1039/D3DT02317F

Hilbert Space in Isotopologue Dy(III) SMM Dimers: Dipole Interaction Limit in [ Dy (tmhd)(tape)] Complexes
Ruan, T.-T.; Moreno-Pineda, E.; Schulze, M.; Schlittenhardt, S.; Brietzke, T.; Holdt, H.-J.; Kuppusamy, S. K.; Wernsdorfer, W.; Ruben, M.
2023. Inorganic Chemistry, 62 (37), 15148–15156. doi:10.1021/acs.inorgchem.3c02246

Hierarchical Self-Assembly and Conformation of Tb Double-Decker Molecular Magnets: Experiment and Molecular Dynamics
Lawes, P.; Boero, M.; Barhoumi, R.; Klyatskaya, S.; Ruben, M.; Bucher, J.-P.
2023. Nanomaterials, 13 (15), Art.-Nr.: 2232. doi:10.3390/nano13152232

Synthesis and properties of cyclic sandwich compounds
Münzfeld, L.; Gillhuber, S.; Hauser, A.; Lebedkin, S.; Hädinger, P.; Knöfel, N. D.; Zovko, C.; Gamer, M. T.; Weigend, F.; Kappes, M. M.; Roesky, P. W.
2023. Nature, 620 (7972), 92–96. doi:10.1038/s41586-023-06192-4

Synthesis of [CNN] pincer nickel(II) NHC chlorides and their catalytic effects on the hydrosilylation of aldehydes and ketones under mild conditions
Cao, S.; Xie, S.; Li, Q.; Li, X.; Sun, H.; Fuhr, O.; Fenske, D.
2023. New Journal of Chemistry, 47 (26), 12229–12238. doi:10.1039/d3nj01375h

Molecular-Engineered Biradicals Based on the Y III -Phthalocyanine Platform
Suryadevara, N.; Boudalis, A. K.; Olivares Peña, J. E.; Moreno-Pineda, E.; Fediai, A.; Wenzel, W.; Turek, P.; Ruben, M.
2023. Journal of the American Chemical Society, 145 (4), 2461–2472. doi:10.1021/jacs.2c11760

Direct determination of high-order transverse ligand field parameters via µSQUID-EPR in a EtN[GdPc] SMM
Taran, G.; Moreno-Pineda, E.; Schulze, M.; Bonet, E.; Ruben, M.; Wernsdorfer, W.
2023. Nature Communications, 14 (1), Art.-Nr.: 3361. doi:10.1038/s41467-023-39003-5

Thermalization of Nuclear Spins in Lanthanide Molecular Magnets
Taran, G.; Bonet, E.; Moreno-Pineda, E.; Ruben, M.; Wernsdorfer, W.
2023. Inorganic Chemistry, 62 (22), 8598–8604. doi:10.1021/acs.inorgchem.3c00530

Cooperativity‐Driven Reactivity of a Dinuclear Copper Dimethylglyoxime Complex
Petrikat, R. I. I.; Steiger, S. T. T.; Barani, E.; Boden, P. J. J.; Huber, M. E. E.; Ringenberg, M. R. R.; Niedner-Schatteburg, G.; Fink, K.; Becker, S.
2023. Chemistry – A European Journal, 29 (22), Art.-Nr.: e202203438. doi:10.1002/chem.202203438

Elucidating the Structures of Intermediate Fragments during Stepwise Dissociation of Monolayer‐Protected Silver Clusters
Chakraborty, P.; Malola, S.; Neumaier, M.; Weis, P.; Häkkinen, H.; Kappes, M. M.
2023. Angewandte Chemie International Edition, 62 (29), Art.Nr.: e202305836. doi:10.1002/anie.202305836

Solvent-Driven Supramolecular Wrapping of Self-Assembled Structures
Moreno-Alcántar, G.; Aliprandi, A.; Rouquette, R.; Pesce, L.; Wurst, K.; Perego, C.; Brüggeller, P.; Pavan, G. M.; Cola, L. D.
2020. Angewandte Chemie / International edition, 60 (10), 5407–5413. doi:10.1002/anie.202013474

Selective Coordination of Self-Assembled Hexanuclear [NiLn] and [NiMnLn] (Ln = Dy, Tb, and Ho) Complexes: Stepwise Synthesis, Structures, and Magnetic Properties
Bhanja, A.; Schulze, M.; Herchel, R.; Moreno-Pineda, E.; Wernsdorfer, W.; Ray, D.
2020. Inorganic chemistry, 59 (24), 17929–17944. doi:10.1021/acs.inorgchem.0c02148

Encapsulation of Au Clusters within Surface-Supported Metal-Organic Frameworks for Catalytic Reduction of 4-Nitrophenol
Liu, J.; Heidrich, S.; Liu, J.; Guo, B.; Zharnikov, M.; Simon, U.; Wenzel, W.; Wöll, C.
2020. ACS applied nano materials, 4 (1), 522–528. doi:10.1021/acsanm.0c02842

Varying the Dimensionality of Cu(II)-Based Coordination Polymers Through Solvent Influence
Kühne, I. A.; Carter, A. B.; Kostakis, G. E.; Anson, C. E.; Powell, A. K.
2020. Crystals, 10 (10), Art. Nr.: 893. doi:10.3390/cryst10100893

The Effect of Substituents on the Formation of Silyl [PSiP] Pincer Cobalt(I) Complexes and Catalytic Application in Both Nitrogen Silylation and Alkene Hydrosilylation
Dong, Y.; Zhang, P.; Fan, Q.; Du, X.; Xie, S.; Sun, H.; Li, X.; Fuhr, O.; Fenske, D.
2020. Inorganic chemistry, 59 (22), 16489–16499. doi:10.1021/acs.inorgchem.0c02332

A versatile Diels–Alder approach to functionalized hydroanthraquinones
Beck, J.; Fuhr, O.; Nieger, M.; Bräse, S.
2020. Royal Society Open Science, 7 (11), Article: 200626. doi:10.1098/rsos.200626

Unprecedented palladium(II) complex containing dipodal 1,3,4-thiadiazole derivatives: synthesis, structure, and biological and thermal investigations
Heidari, L.; Ghassemzadeh, M.; Fenske, D.; Fuhr, O.; Saeidifar, M.; Mohsenzadeh, F.
2020. New journal of chemistry, 44 (39), 16769–16775. doi:10.1039/d0nj02918a

The effect of anion complexation on the aromatic properties of aromatic and antiaromatic porphyrinoids
Valiev, R. R.; Valiulina, L. I.; Fliegl, H.; Sundholm, D.
2020. New journal of chemistry, 44 (47), 20643–20650. doi:10.1039/D0NJ04470A

Emission dynamics of conjugated oligomer (BECV-DHF)/quantum dot perovskite composites in solutions
Aljaafreh, M. J.; Prasad, S.; AlSalhi, M. S.; Lemmer, U.; Alahmed, Z. A.; Baloch, M. A.
2020. Colloids and surfaces / A, 610, Art.-Nr.: 125911. doi:10.1016/j.colsurfa.2020.125911

Buffer Influence on the Amino Acid Silica Interaction
Bag, S.; Rauwolf, S.; Suyetin, M.; Schwaminger, S. P.; Wenzel, W.; Berensmeier, S.
2020. ChemPhysChem, 21 (20), 2347–2356. doi:10.1002/cphc.202000572

Designing and understanding light-harvesting devices with machine learning
Häse, F.; Roch, L. M.; Friederich, P.; Aspuru-Guzik, A.
2020. Nature Communications, 11 (1), Art.-Nr.: 4587. doi:10.1038/s41467-020-17995-8

The influence of sorbitol doping on aggregation and electronic properties of PEDOT:PSS: a theoretical study
Friederich, P.; León, S.; Perea, J. D.; Roch, L. M.; Aspuru-Guzik, A.
2020. Machine learning: science and technology, 2 (1), Art.Nr. 01LT01. doi:10.1088/2632-2153/ab983b

Self-referencing embedded strings (SELFIES): A 100% robust molecular string representation
Krenn, M.; Häse, F.; Nigam, A.; Friederich, P.; Aspuru-Guzik, A.
2020. Machine learning: science and technology, 1 (4), Art.-Nr.: 045024. doi:10.1088/2632-2153/aba947

A Series of Homoleptic Linear Trimethylsilylchalcogenido Cuprates, Argentates and Aurates Cat[MeSiE-M-ESiMe] (M = Cu, Ag, Au; E = S, Se)
Guschlbauer, J.; Vollgraff, T.; Xie, X.; Weigend, F.; Sundermeyer, J.
2020. Inorganic chemistry, 59, 17565–17572. doi:10.1021/acs.inorgchem.0c02808

Halogenated Terephthalic Acid "Antenna Effects" in Lanthanide-SURMOF Thin Films
Santos, J. C. C.; Pramudya, Y.; Krstić, M.; Chen, D.-H.; Neumeier, B. L.; Feldmann, C.; Wenzel, W.; Redel, E.
2020. ACS applied materials & interfaces, 12 (46), 52166–52174. doi:10.1021/acsami.0c15392

The Interplay of Conformation and Electronic Structure in Metal Organic Frameworks
Pramudya, Y.; Kozlowska, M.; Heidrich, S.; Krstić, M.; Haldar, R.; Neumann, T.; Schlöder, T.; Zhang, Q.; Symalla, F.; Hassan, Z. M.; Liu, X.; Heinke, L.; Wöll, C.; Wenzel, W.
2020. ECS transactions, 98 (8), 3–13. doi:10.1149/09808.0003ecst

A multifunctional use of bis(methylene)bis(5-bromo-2-hydroxyl salicyloylhydrazone): From metal sensing to ambient catalysis of A3 coupling reactions
Peewasan, K.; Merkel, M. P.; Fuhr, O.; Anson, C. E.; Powell, A. K.
2020. RSC Advances, 10 (67), 40739–40744. doi:10.1039/d0ra07687b

Synthesis, Characterization, Electrochemistry, Photoluminescence and Magnetic Properties of a Dinuclear Erbium(III)-Containing Monolacunary Dawson-Type Tungstophosphate: [{Er(H2O)(CH3COO)(P2W17O61)}2]16−
Ibrahim, M.; Baksi, A.; Peng, Y.; Al-Zeidaneen, F. K.; Mbomekallé, I. M.; Oliveira, P. de; Anson, C. E.
2020. Molecules, 25 (18), Art. Nr.: 4229. doi:10.3390/molecules25184229

Efficient Blue Phosphorescence in Gold(I)‐Acetylide Functionalized Coinage Metal Bis(amidinate) Complexes
Feuerstein, T. J.; Seifert, T. P.; Jung, A. P.; Müller, R.; Lebedkin, S.; Kappes, M. M.; Roesky, P. W.
2020. Chemistry - a European journal, 26 (70), 16676–16682. doi:10.1002/chem.202002466

Photocycloreversions within single polymer chains
Liu, M.; Wenzel, W.; Frisch, H.
2020. Polymer chemistry, 11 (41), 6616–6623. doi:10.1039/d0py01062f

Covalent cucurbit[7]uril-dye conjugates for sensing in aqueous saline media and biofluids
Hu, C.; Grimm, L.; Prabodh, A.; Baksi, A.; Siennicka, A.; Levkin, P. A.; Kappes, M. M.; Biedermann, F.
2020. Chemical science, 11 (41), 11142–11153. doi:10.1039/d0sc03079a

Surface-controlled reversal of the selectivity of halogen bonds
Tschakert, J.; Zhong, Q.; Martin-Jimenez, D.; Carracedo-Cosme, J.; Romero-Muñiz, C.; Henkel, P.; Schlöder, T.; Ahles, S.; Mollenhauer, D.; Wegner, H. A.; Pou, P.; Pérez, R.; Schirmeisen, A.; Ebeling, D.
2020. Nature Communications, 11 (1), Art. Nr.: 5630. doi:10.1038/s41467-020-19379-4

Ab-initio simulation of doped injection layers
Symalla, F.; Fediai, A.; Armleder, J.; Kaiser, S.; Strunk, T.; Neumann, T.; Wenzel, W.
2020. Digest of technical papers, 51 (1), 630–633. doi:10.1002/sdtp.13946

Stereochemistry of coordination polyhedra vs. single ion magnetism in penta- and hexacoordinated Co(ii) complexes with tridentate rigid ligands
Brachňaková, B.; Matejová, S.; Moncol, J.; Herchel, R.; Pavlik, J.; Moreno-Pineda, E.; Ruben, M.; Šalitroš, I.
2020. Dalton transactions, 49 (4), 1249–1264. doi:10.1039/C9DT04592A

Iron in a Cage: Fixation of a Fe(II)tpy Complex by Fourfold Interlinking
Brandl, T.; Johannsen, S.; Häussinger, D.; Suryadevara, N.; Prescimone, A.; Bernhard, S.; Gruber, M.; Ruben, M.; Berndt, R.; Mayor, M.
2020. Angewandte Chemie, 132 (37), 16081–16086. doi:10.1002/ANGE.202006340

Double donation in trigonal planar iron–carbodiphosphorane complexes – a concise study on their spectroscopic and electronic properties
Kneusels, N.-J. H.; Münzer, J. E.; Flosdorf, K.; Jiang, D.; Neumüller, B.; Zhao, L.; Eichhöfer, A.; Frenking, G.; Kuzu, I.
2020. Dalton transactions, 49 (8), 2537–2546. doi:10.1039/c9dt04725e

Bistable spin-crossover in a new series of [Fe(BPP-R)](BPP = 2,6-bis(pyrazol-1-yl)pyridine; R = CN) complexes
Kuppusamy, S. K.; Del Giudice, N.; Heinrich, B.; Douce, L.; Ruben, M.
2020. Dalton transactions, 49 (40), 14258–14267. doi:10.1039/d0dt02214d

Sampling of the conformational landscape of small proteins with Monte Carlo methods
Heilmann, N.; Wolf, M.; Kozlowska, M.; Sedghamiz, E.; Setzler, J.; Brieg, M.; Wenzel, W.
2020. Scientific reports, 10, Art.-Nr.: 18211. doi:10.1038/s41598-020-75239-7

A new Fe substituted arsenotungstate [Fe 2(AsWO)(AsOH)]: Synthesis, structure, characterization and magnetic properties
Ibrahim, M.; Peng, Y.; Anson, C. E.
2020. Magnetochemistry, 6 (4), Art.-Nr.: 54. doi:10.3390/magnetochemistry6040054

Nuclear Spin-Spin Couplings: Efficient Evaluation of Exact Exchange and Extension to Local Hybrid Functionals
Mack, F.; Schattenberg, C. J.; Kaupp, M.; Weigend, F.
2020. The journal of physical chemistry <Washington, DC> / A, 124 (41), 8529–8539. doi:10.1021/acs.jpca.0c06897

Teaching indicators to unravel the kinetic features of host-guest inclusion complexes
Prabodh, A.; Sinn, S.; Grimm, L.; Miskolczy, Z.; Megyesi, M.; Biczók, L.; Bräse, S.; Biedermann, F.
2020. Chemical communications, 56 (82), 12327–12330. doi:10.1039/d0cc03715j

Stabilizing a metalloid Zn unit within a polymetallide environment in [KZnBi]
Eulenstein, A. R.; Franzke, Y. J.; Bügel, P.; Massa, W.; Weigend, F.; Dehnen, S.
2020. Nature Communications, 11 (1), Art.-Nr.: 5122. doi:10.1038/s41467-020-18799-6

Spin–Spin Interactions Between Er Ions in the [AlEr(μ-OH)(pmide)(p-Me-PhCO)]·2MeCN Compound: EPR Study
Galeev, R. T.; Sukhanov, A. A.; Voronkova, V. K.; Budnikova, I. K.; Peng, Y.; Powell, A. K.
2020. Applied magnetic resonance, 51, 1267–1276. doi:10.1007/s00723-020-01277-z

Comparative NMR Relaxivity Study of Polyoxometalate-Based Clusters [Mn(HO)(PWO)] and [{Dy(HO)}Mn(HO)(PWO)] from 20 MHz to 1.2 GHz
Ibrahim, M.; Rudszuck, T.; Kerdi, B.; Krämer, S.; Guthausen, G.; Powell, A. K.
2020. Applied magnetic resonance, 51 (11), 1295–1305. doi:10.1007/s00723-020-01267-1

N Silylation Catalyzed by a Bis(silylene)-Based [SiCSi] Pincer Hydrido Iron(II) Dinitrogen Complex
Li, S.; Wang, Y.; Yang, W.; Li, K.; Sun, H.; Li, X.; Fuhr, O.; Fenske, D.
2020. Organometallics, 39 (5), 757–766. doi:10.1021/acs.organomet.0c00025

An Air-Stable N-Heterocyclic [PSiP] Pincer Iron Hydride and an Analogous Nitrogen Iron Hydride: Synthesis and Catalytic Dehydration of Primary Amides to Nitriles
Wang, Y.; Zhang, H.; Xie, S.; Sun, H.; Li, X.; Fuhr, O.; Fenske, D.
2020. Organometallics, 39 (6), 824–833. doi:10.1021/acs.organomet.9b00880

Pressure-Modulated Broadband Emission in 2D Layered Hybrid Perovskite-Like Bromoplumbate
Gómez, V.; Klyatskaya, S.; Fuhr, O.; Kalytchuk, S.; Zbořil, R.; Kappes, M.; Lebedkin, S.; Ruben, M.
2020. Inorganic chemistry, 59 (17), 12431–12436. doi:10.1021/acs.inorgchem.0c01490

Segmented Contracted Error-Consistent Basis Sets of Quadruple-ζ Valence Quality for One- and Two-Component Relativistic All-Electron Calculations
Franzke, Y. J.; Spiske, L.; Pollak, P.; Weigend, F.
2020. Journal of chemical theory and computation, 16 (9), 5658–5674. doi:10.1021/acs.jctc.0c00546

Ultrasmall silicon nanoparticles as a promising platform for multimodal imaging
Singh, G.; Ddungu, J. L. Z.; Licciardello, N.; Bergmann, R.; De Cola, L.; Stephan, H.
2020. Faraday discussions, 222, 362–383. doi:10.1039/C9FD00091G

From Absorption Spectra to Charge Transfer in Nanoaggregates of Oligomers with Machine Learning
Roch, L. M.; Saikin, S. K.; Häse, F.; Friederich, P.; Goldsmith, R. H.; León, S.; Aspuru-Guzik, A.
2020. ACS nano, 14 (6), 6589–6598. doi:10.1021/acsnano.0c00384

Structural Phase Transition of Ruthenium Cluster Hydrides
Hehn, A.-S.; Bumüller, D.; Klopper, W.; Kappes, M. M.; Schooss, D.
2020. The journal of physical chemistry <Washington, DC> / C, 124 (26), 14306–14315. doi:10.1021/acs.jpcc.0c01962

Conductive Metal–Organic Framework Thin Film Hybrids by Electropolymerization of Monosubstituted Acetylenes
Klyatskaya, S.; Kanj, A. B.; Molina-Jirón, C.; Heidrich, S.; Velasco, L.; Natzeck, C.; Gliemann, H.; Heissler, S.; Weidler, P.; Wenzel, W.; Bufon, C. C. B.; Heinke, L.; Wöll, C.; Ruben, M.
2020. ACS applied materials & interfaces, 12 (27), 30972–30979. doi:10.1021/acsami.0c07036

[CNC]-Pincer Cobalt Hydride Catalyzed Distinct Selective Hydrosilylation of Aryl Alkene and Alkyl Alkene
Xie, S.; Li, X.; Sun, H.; Fuhr, O.; Fenske, D.
2020. Organometallics, 39 (13), 2455–2463. doi:10.1021/acs.organomet.0c00251

Formation and desorption of nickel hexafluoroacetylacetonate Ni(hfac) on a nickel oxide surface in atomic layer etching processes
Basher, A. H.; Krstić, M.; Fink, K.; Ito, T.; Karahashi, K.; Wenzel, W.; Hamaguchi, S.
2020. Journal of vacuum science & technology / A, 38 (5), Art.Nr. 052602. doi:10.1116/6.0000293

Nanoscale patterning at the Si/SiO₂/graphene interface by focused He⁺ beam
Böttcher, A.; Schwaiger, R.; Pazdera, T. M.; Exner, D.; Hauns, J.; Strelnikov, D.; Lebedkin, S.; Gröger, R.; Esch, F.; Lechner, B. A. J.; Kappes, M. M.
2020. Nanotechnology, 31 (50), Article no: 505302. doi:10.1088/1361-6528/abb5cf

Tuning Optical Properties by Controlled Aggregation: Electroluminescence Assisted by Thermally‐Activated Delayed Fluorescence from Thin Films of Crystalline Chromophores
Wöll, C.; Haldar, R.; Jakoby, M.; Kozlowska, M.; Khan, M. R.; Chen, H.; Pramudya, Y.; Richards, B. S.; Heinke, L.; Wenzel, W.; Odobel, F.; Diring, S.; Howard, I. A.; Lemmer, U.
2020. Chemistry - a European journal, 26 (71), 17016–17020. doi:10.1002/chem.202003712

Crystalline assembly of perylene in metal–organic framework thin film: J-aggregate or excimer? Insight into the electronic structure
Kozlowska, M.; Pramudya, Y.; Jakoby, M.; Heidrich, S.; Pan, L.; Richards, B.; Howard, I.; Woell, C.; Haldar, R.; Wenzel, W.
2020. Journal of physics / Condensed matter, 33 (3), Art.Nr. 034001. doi:10.1088/1361-648X/abbc34

Pyridine N-oxide promoted hydrosilylation of carbonyl compounds catalyzed by [PSiP]-pincer iron hydrides
Chang, G.; Zhang, P.; Yang, W.; Xie, S.; Sun, H.; Li, X.; Fuhr, O.; Fenske, D.
2020. Dalton transactions, 49 (27), 9349–9354. doi:10.1039/D0DT00392A

Correction: Pyridine N-oxide promoted hydrosilylation of carbonyl compounds catalyzed by [PSiP]-pincer iron hydrides
Chang, G.; Zhang, P.; Yang, W.; Xie, S.; Sun, H.; Li, X.; Fuhr, O.; Fenske, D.
2020. Dalton transactions, 49 (32), 11412. doi:10.1039/d0dt90147d

Synthesis of novel bisphosphorylimides based on Staudinger reaction
Weber, L.; Weinert, M.; Goedderz, D.; Fuhr, O.; Döring, M.
2020. Arkivoc, 2020 (6), Art. Nr.: A25. doi:10.24820/ARK.5550190.P011.150

The Influence of Halide Substituents on the Structural and Magnetic Properties of FeDy Rings
Kühne, I. A.; Anson, C. E.; Powell, A. K.
2020. Frontiers in Chemistry, 8, Art.-Nr.: 701. doi:10.3389/fchem.2020.00701

Inorganic Approach to Stabilizing Nanoscale Toroidicity in a Tetraicosanuclear FeDy Single Molecule Magnet
Kaemmerer, H.; Baniodeh, A.; Peng, Y.; Moreno-Pineda, E.; Schulze, M.; Anson, C. E.; Wernsdorfer, W.; Schnack, J.; Powell, A. K.
2020. Journal of the American Chemical Society, 142 (35), 14838–14842. doi:10.1021/jacs.0c07168

The periodic law of the chemical elements: ‘The new system of atomic weights which renders evident the analogies which exist between bodies’
Edwards, P. P.; Egdell, R. G.; Fenske, D.; Yao, B.
2020. Philosophical transactions of the Royal Society of London / A, 378, Art.-Nr.: 20190537. doi:10.1098/rsta.2019.0537

Plasmonic Nanocrystal Arrays on Photonic Crystals with Tailored Optical Resonances
Wang, J.; Le-The, H.; Karamanos, T.; Suryadharma, R. N. S.; Berg, A. van den; Pinkse, P. W. H.; Rockstuhl, C.; Shui, L.; Eijkel, J. C. T.; Segerink, L. I.
2020. ACS applied materials & interfaces, 12 (33), 37657–37669. doi:10.1021/acsami.0c05596

The First Use of a ReX Synthon to Modulate Fe Spin Crossover via Supramolecular Halogen⋅⋅⋅Halogen Interactions
Busch, R.; Carter, A. B.; Konidaris, K. F.; Kühne, I. A.; González, R.; Anson, C. E.; Powell, A. K.
2020. Chemistry - a European journal, 26 (51), 11835–11840. doi:10.1002/chem.202001668

Di- and Tri-nuclear V and Cr Complexes of Dipyridyltriazoles: Ligand Rearrangements, Mixed Valency and Ferromagnetic Coupling
Rinck, J.; Kitchen, J. A.; Carter, A. B.; Lan, Y.; Anson, C. E.; Fink, K.; Brooker, S.; Powell, A. K.
2020. Frontiers in Chemistry, 8, Art.Nr. 540. doi:10.3389/fchem.2020.00540

Fluorescent artificial receptor-based membrane assay (FARMA) for spatiotemporally resolved monitoring of biomembrane permeability
Biedermann, F.; Ghale, G.; Hennig, A.; Nau, W. M.
2020. Communications biology, 3 (1), Art. Nr.: 383. doi:10.1038/s42003-020-1108-9

Iron in a Cage: Fixation of a Fe(II)tpy2 Complex by Fourfold Interlinking
Brandl, T.; Johannsen, S.; Häussinger, D.; Suryadevara, N.; Prescimone, A.; Bernhard, S.; Gruber, M.; Ruben, M.; Berndt, R.; Mayor, M.
2020. Angewandte Chemie / International edition, 59 (37), 15947–15952. doi:10.1002/anie.202006340

Coordination Compounds of 9,10-Dihydro-9-oxa-10-phosphaphenanthrene-10-Oxide (DOPO) Ligands: Extremely High Thermostability and Ligand Oxidation in the Solid State
Goedderz, D.; Schäfer, T.; Klitsch, J.; Weber, L.; Weber, B.; Fuhr, O.; Buntkowsky, G.; Schönberger, F.; Döring, M.
2020. European journal of inorganic chemistry, 2020 (25), 2444–2456. doi:10.1002/ejic.202000269

The Arachno‐Zintl Ion (SnSb) and the Effects of Element Composition on the Structures of Isoelectronic Clusters: Another Facet of the Pseudo‐Element Concept
Wilson, R. J.; Weigend, F.; Dehnen, S.
2020. Angewandte Chemie / International edition, 59 (34), 14251–14255. doi:10.1002/anie.202002863

New Photosensitizers Based on Heteroleptic Cu Complexes and CO Photocatalytic Reduction with [Ni(cyclam)]Cl
Gracia, L. L.; Luci, L.; Bruschi, C.; Sambri, L.; Weis, P.; Fuhr, O.; Bizzarri, C.
2020. Chemistry - a European journal, 26 (44), 9929–9937. doi:10.1002/chem.202001279

Teaching old indicators even more tricks: binding affinity measurements with the guest-displacement assay (GDA)
Sinn, S.; Krämer, J.; Biedermann, F.
2020. Chemical communications, 56 (49), 6620–6623. doi:10.1039/d0cc01841d

Multinuclear Pt Complex: Why Three is Better Than Two to Enhance Photophysical Properties
Chakraborty, S.; Aliprandi, A.; De Cola, L.
2020. Chemistry - a European journal, 26 (48), 11007–11012. doi:10.1002/chem.202001510

Machine learning dihydrogen activation in the chemical space surrounding Vaska’s complex
Friederich, P.; Dos Passos Gomes, G.; De Bin, R.; Aspuru-Guzik, A.; Balcells, D.
2020. Chemical science, 11 (18), 4584–4601. doi:10.1039/d0sc00445f

Triple Self-Sorting in Constitutional Dynamic Networks: Parallel Generation of Imine-Based CuI, FeII, and ZnII Complexes
Ayme, J.-F.; Dhers, S.; Lehn, J.-M.
2020. Angewandte Chemie / International edition, 59 (30), 12484–12492. doi:10.1002/anie.202000818

Tacticity dependence of single chain polymer folding
Danilov, D.; Sedghamiz, E.; Fliegl, H.; Frisch, H.; Barner-Kowollik, C.; Wenzel, W.
2020. Polymer chemistry, 11 (20), 3439–3445. doi:10.1039/d0py00133c

Deficiency in the endocytic adaptor proteins PHETA1/2 impairs renal and craniofacial development
Ates, K. M.; Wang, T.; Moreland, T.; Veeranan-Karmegam, R.; Ma, M.; Jeter, C.; Anand, P.; Wenzel, W.; Kim, H.-G.; Wolfe, L. A.; Stephen, J.; Adams, D. R.; Markello, T.; Tifft, C. J.; Settlage, R.; Gahl, W. A.; Gonsalvez, G. B.; Malicdan, M. C.; Flanagan-Steet, H.; Pan, Y. A.
2020. Disease models & mechanisms, 13 (5), Art. Nr.: dmm041913. doi:10.1242/dmm.041913

Synthesis, characterization and magnetic studies of dinuclear lanthanide complexes constructed with a Schiff base ligand
Khan, A.; Fuhr, O.; Akhtar, M. N.; Lan, Y.; Thomas, M.; Powell, A. K.
2020. Journal of coordination chemistry, 73 (6), 1045–1054. doi:10.1080/00958972.2020.1759044

Disorder-driven doping activation in organic semiconductors
Fediai, A.; Emering, A.; Symalla, F.; Wenzel, W.
2020. Physical chemistry, chemical physics, 22 (18), 10256–10264. doi:10.1039/d0cp01333a

TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations
Balasubramani, S. G.; Chen, G. P.; Coriani, S.; Diedenhofen, M.; Frank, M. S.; Franzke, Y. J.; Furche, F.; Grotjahn, R.; Harding, M. E.; Hättig, C.; Hellweg, A.; Helmich-Paris, B.; Holzer, C.; Huniar, U.; Kaupp, M.; Marefat Khah, A.; Karbalaei Khani, S.; Müller, T.; Mack, F.; Nguyen, B. D.; Parker, S. M.; Perlt, E.; Rappoport, D.; Reiter, K.; Roy, S.; Rückert, M.; Schmitz, G.; Sierka, M.; Tapavicza, E.; Tew, D. P.; Wüllen, C. van; Voora, V. K.; Weigend, F.; Wodyński, A.; Yu, J. M.
2020. The journal of chemical physics, 152 (18), Article: 184107. doi:10.1063/5.0004635

Alkyne-Monofunctionalized Gold Nanoparticles as Massive Molecular Building Blocks
Peters, E. H.; Mayor, M.
2020. European journal of inorganic chemistry, 24, 2325–2334. doi:10.1002/ejic.202000273

Kinetics and Mechanism of Cation‐Induced Guest Release from Cucurbit[7]uril
Miskolczy, Z.; Megyesi, M.; Biczók, L.; Prabodh, A.; Biedermann, F.
2020. Chemistry - a European journal, 26 (33), 7433–7441. doi:10.1002/chem.201905633

Exploring the Vibrational Side of Spin‐Phonon Coupling in Single‐Molecule Magnets via 161Dy Nuclear Resonance Vibrational Spectroscopy
Scherthan, L.; Pfleger, R. F.; Auerbach, H.; Hochdörffer, T.; Wolny, J. A.; Bi, W.; Zhao, J.; Hu, M. Y.; Alp, E. E.; Anson, C. E.; Diller, R.; Powell, A. K.; Schünemann, V.
2020. Angewandte Chemie / International edition, 59 (23), 8818–8822. doi:10.1002/anie.201914728

The first microsolvation step for furans: New experiments and benchmarking strategies
Gottschalk, H. C.; Poblotzki, A.; Fatima, M.; Obenchain, D. A.; Pérez, C.; Antony, J.; Auer, A. A.; Baptista, L.; Benoit, D. M.; Bistoni, G.; Bohle, F.; Dahmani, R.; Firaha, D.; Grimme, S.; Hansen, A.; Harding, M. E.; Hochlaf, M.; Holzer, C.; Jansen, G.; Klopper, W.; Kopp, W. A.; Krasowska, M.; Kröger, L. C.; Leonhard, K.; Mogren Al-Mogren, M.; Mouhib, H.; Neese, F.; Pereira, M. N.; Prakash, M.; Ulusoy, I. S.; Mata, R. A.; Suhm, M. A.; Schnell, M.
2020. The journal of chemical physics, 152 (16), Art.Nr.: 164303. doi:10.1063/5.0004465

Matter-wave interference and deflection of tripeptides decorated with fluorinated alkyl chains
Schätti, J.; Köhler, V.; Mayor, M.; Fein, Y. Y.; Geyer, P.; Mairhofer, L.; Gerlich, S.; Arndt, M.
2020. Journal of mass spectrometry, 55 (6), Article No.e4514. doi:10.1002/jms.4514

E‐Selective Hydrothiolation of Terminal Arylallenes with Arylthiols Catalyzed by Ni (PMe₃)₄
Ren, S.; Xue, B.; Zheng, T.; Wang, Y.; Sun, H.; Li, X.; Fuhr, O.; Fenske, D.
2020. Applied organometallic chemistry, 34 (2), Art.-Nr. e5291. doi:10.1002/aoc.5291

The Crystal Structure of a RAS (N–CH-2-NH-5-Cl–Py)(TCNQ)(CHCN) Solvate
Starodub, T. N.; Fenske, D.; Fuhr, O.; Kazheva, O. N.; Starodub, V. A.
2020. Revista Mexicana de agronegocios, 65 (2), 242–246. doi:10.1134/S1063774520020248

The Enantiomers of Trinorbornane and Derivatives Thereof
Delarue Bizzini, L.; Bürgi, T.; Mayor, M.
2020. Helvetica chimica acta, 103 (3), Art.-Nr.: e2000019. doi:10.1002/hlca.202000019

Efficient dehydration of primary amides to nitriles catalyzed by phosphorus‐chalcogen chelated iron hydrides
Li, K.; Sun, H.; Yang, W.; Wang, Y.; Xie, S.; Li, X.; Fuhr, O.; Fenske, D.
2020. Applied organometallic chemistry, 34 (3), e5337. doi:10.1002/aoc.5337

Lewis acid promoted dehydration of amides to nitriles catalyzed by [PSiP]‐pincer iron hydrides
Chang, G.; Li, X.; Zhang, P.; Yang, W.; Li, K.; Wang, Y.; Sun, H.; Fuhr, O.; Fenske, D.
2020. Applied organometallic chemistry, 34 (4), Art.-Nr. e5466. doi:10.1002/aoc.5466

Breaking with Light: Stimuli-Responsive Mesoporous Organosilica Particles
Picchetti, P.; DiMarco, B. N.; Travaglini, L.; Zhang, Y.; Ortega-Liebana, M. C.; De Cola, L.
2020. Chemistry of materials, 32 (1), 392–399. doi:10.1021/acs.chemmater.9b03937

Preparation and luminescence properties of a Mheterometallic coinage metal chalcogenide cluster
Polgar, A. M.; Franzke, Y. J.; Lebedkin, S.; Weigend, F.; Corrigan, J. F.
2020. Dalton transactions, 49 (3), 593–597. doi:10.1039/c9dt02669j

An Efficient Coupled-Perturbed Kohn–Sham Implementation of NMR Chemical Shift Computations with Local Hybrid Functionals and Gauge-Including Atomic Orbitals
Schattenberg, C. J.; Reiter, K.; Weigend, F.; Kaupp, M.
2020. Journal of chemical theory and computation, 16 (2), 931–943. doi:10.1021/acs.jctc.9b00944

Simultaneous Generation of a [2 × 2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process
Ayme, J.-F.; Lehn, J.-M.; Bailly, C.; Karmazin, L.
2020. Journal of the American Chemical Society, 142 (12), 5819–5824. doi:10.1021/jacs.0c00896

Frequency-comb spectroscopy on pure quantum states of a single molecular ion
Chou, C. W.; Collopy, A. L.; Kurz, C.; Lin, Y.; Harding, M. E.; Plessow, P. N.; Fortier, T.; Diddams, S.; Leibfried, D.; Leibrandt, D. R.
2020. Science, 367 (6485), 1458–1461. doi:10.1126/science.aba3628

Spin-crossover in iron(II)-phenylene ethynylene-2,6-di(pyrazol-1-yl) pyridine hybrids: Toward switchable molecular wire-like architectures
Kumar, K. S.; Šalitroš, I.; Heinrich, B.; Moldovan, S.; Mauro, M.; Ruben, M.
2020. Journal of physics / Condensed matter, 32 (20), 204002. doi:10.1088/1361-648X/ab6cc2

Stability of hexafluoroacetylacetone molecules on metallic and oxidized nickel surfaces in atomic-layer-etching processes
Basher, A. H.; Krstić, M.; Takeuchi, T.; Isobe, M.; Ito, T.; Kiuchi, M.; Karahashi, K.; Wenzel, W.; Hamaguchi, S.
2020. Journal of vacuum science & technology / A, 38 (2), Article: 022610. doi:10.1116/1.5127532

Electron–Phonon Coupling in Current-Driven Single-Molecule Junctions
Bi, H.; Palma, C.-A.; Gong, Y.; Stallhofer, K.; Nuber, M.; Jing, C.; Meggendorfer, F.; Wen, S.; Yam, C.; Kienberger, R.; Elbing, M.; Mayor, M.; Iglev, H.; Barth, J. V.; Reichert, J.
2020. Journal of the American Chemical Society, 142 (7), 3384–3391. doi:10.1021/jacs.9b07757

Ultrafast Intersystem Crossing in Isolated Ag(BDT) Probed by Time-Resolved Pump–Probe Photoelectron Spectroscopy
Veenstra, A. P.; Monzel, L.; Baksi, A.; Czekner, J.; Lebedkin, S.; Schneider, E. K.; Pradeep, T.; Unterreiner, A.-N.; Kappes, M. M.
2020. The journal of physical chemistry letters, 11 (7), 2675–2681. doi:10.1021/acs.jpclett.0c00482

Multiscale Simulation of Photoluminescence Quenching in Phosphorescent OLED Materials
Symalla, F.; Heidrich, S.; Friederich, P.; Strunk, T.; Neumann, T.; Minami, D.; Jeong, D.; Wenzel, W.
2020. Advanced theory and simulations, 3 (4), Art. Nr.: 1900222. doi:10.1002/adts.201900222

Heteronuclear Iron(III)–Schiff Base Complexes with the Hexacyanidocobaltate(III) Anion: On the Quest To Understand the Governing Factors of Spin Crossover
Pavlik, J.; Masárová, P.; Nemec, I.; Fuhr, O.; Ruben, M.; Šalitroš, I.
2020. Inorganic chemistry, 59 (5), 2747–2757. doi:10.1021/acs.inorgchem.9b03097

A designed and potentially decadentate ligand for use in lanthanide(III) catalysed biomass transformations: targeting diastereoselective trans-4,5-diaminocyclopentenone derivatives
Peewasan, K.; Merkel, M. P.; Fuhr, O.; Powell, A. K.
2020. Dalton transactions, 49 (7), 2331–2336. doi:10.1039/D0DT00183J

Chirality Sensing of Terpenes, Steroids, Amino Acids, Peptides and Drugs with Acyclic Cucurbit[n]urils and Molecular Tweezers
Prabodh, A.; Bauer, D.; Kubik, S.; Rebmann, P.; Klärner, F.-G.; Schrader, T.; Delarue Bizzini, L.; Mayor, M.; Biedermann, F.
2020. Chemical communications, 56, 4652–4655. doi:10.1039/D0CC00707B

Improved Photostability of a Cu-I Complex by Macrocyclization of the Phenanthroline Ligands
Brandl, T.; Kerzig, C.; Le Pleux, L.; Prescimone, A.; Wenger, O. S.; Mayor, M.
2020. Chemistry - a European journal, 26 (14), 3119–3128. doi:10.1002/chem.201904754

An overview of data‐driven HADDOCK strategies in CAPRI rounds 38-45
Koukos, P. I.; Roel-Touris, J.; Ambrosetti, F.; Geng, C.; Schaarschmidt, J.; Trellet, M. E.; Melquiond, A. S. J.; Xue, L. C.; Honorato, R. V.; Moreira, I.; Kurkcuoglu, Z.; Vangone, A.; Bonvin, A. M. J. J.
2020. Proteins, 88 (8), 1029–1036. doi:10.1002/prot.25869

Light-induced spin transition in the spin-crossover complex FePt₂2 detected by optical pump -coherent resonant nuclear elastic scattering
Sadashivaiah, S.; Jenni, K.; Scherthan, L.; Schäfer, B.; Herlitschke, M.; Würtz, P.; Strohm, C.; Sergeev, I.; Wille, H.-C.; Röhlsberger, R.; Wolny, J. A.; Ruben, M.; Schünemann, V.
2020. Hyperfine interactions, 241 (1), Article: 3. doi:10.1007/S10751-019-1673-9

Self-sorting of two imine-based metal complexes: Balancing kinetics and thermodynamics in constitutional dynamic networks
Ayme, J.-F.; Lehn, J.-M.
2020. Chemical science, 11 (4), 1114–1121. doi:10.1039/c9sc04988f

Voltage Fluctuations in a System of Capacitively Coupled Superconducting Nanowires
Latyshev, A.; Semenov, A. G.; Zaikin, A. D.
2020. Journal of superconductivity and novel magnetism, 33, 2329–2334. doi:10.1007/s10948-019-05402-3

Bi-stable spin-crossover in charge-neutral [Fe(R-ptp)2] (ptp = 2-(1: H -pyrazol-1-yl)-6-(1 H -tetrazol-5-yl)pyridine) complexes
Senthil Kumar, K.; Vela, S.; Heinrich, B.; Suryadevara, N.; Karmazin, L.; Bailly, C.; Ruben, M.
2020. Dalton transactions, 49 (4), 1022–1031. doi:10.1039/c9dt04411f

Biolasing from Individual Cells in a Low‐Q Resonator Enables Spectral Fingerprinting
Septiadi, D.; Barna, V.; Saxena, D.; Sapienza, R.; Genovese, D.; De Cola, L.
2020. Advanced optical materials, 8 (6), Article: 1901573. doi:10.1002/adom.201901573

The effects of somatic mutations on EGFR interaction with anti-EGFR monoclonal antibodies: Implication for acquired resistance
Tabasinezhad, M.; Omidinia, E.; Talebkhan, Y.; Omrani, M. D.; Mahboudi, F.; Ghaedi, H.; Wenzel, W.
2020. Proteins, 88 (1), 3–14. doi:10.1002/prot.25762

Production and Characterization of a New Variant of an Anti-Tnfα Antibody with Improved Affinity and Potency
Tabasinezhad, M.; Omidinia, E.; Rahimi, H.; Blattner, C.; Walther, T. H.; Mahboudi, F.; Wenzel, W.
2019. International Journal of Drug Development and Research, 11 (2), 38–44. doi:10.36648/0975-9344.11.2.135

Zinc–dysprosium functionalized amyloid fibrils
Sampani, S. I.; Al-Hilaly, Y. K.; Malik, S.; Serpell, L. C.; Kostakis, G. E.
2019. Dalton transactions, 48 (41), 15371–15375. doi:10.1039/C9DT01134J

Low‐Valent Group 14 NHC‐Stabilized Phosphinidenide ate Complexes and NHC‐Stabilized K/P‐Clusters
Balmer, M.; Weigend, F.; Hänisch, C. von 
2019. Chemistry - a European journal, 25 (19), 4914–4919. doi:10.1002/chem.201900348

Not Non-Coordinating at All: Coordination Compounds of the Cyclodimethylsiloxanes D(D = MeSiO; n = 6, 7) and Group 2 Metal Cations
Dankert, F.; Weigend, F.; Hänisch, C. von
2019. Inorganic chemistry, 58 (22), 15417–15422. doi:10.1021/acs.inorgchem.9b02519

Structural Evolution of Palladium Clusters Pd55––Pd147–: Transition to the Bulk
Kohaut, S.; Rapps, T.; Fink, K.; Schooss, D.
2019. The journal of physical chemistry <Washington, DC> / A, 123 (51), 10940–10946. doi:10.1021/acs.jpca.9b09369

Screening the 4f-electron spin of TbPc₂ single-molecule magnets on metal substrates by ligand channeling
Barhoumi, R.; Amokrane, A.; Klyatskaya, S.; Boero, M.; Ruben, M.; Bucher, J.-P.
2019. Nanoscale, 11 (44), 21167–21179. doi:10.1039/C9NR05873G

Quantum Tunneling Mediated Interfacial Synthesis of a Benzofuran Derivative
Paintner, T.; Björk, J.; Du, P.; Klyatskaya, S.; Paszkiewicz, M.; Hellwig, R.; Uphoff, M.; Öner, M. A.; Cuniberto, E.; Deimel, P. S.; Zhang, Y.-Q.; Palma, C.-A.; Allegretti, F.; Ruben, M.; Barth, J. V.; Klappenberger, F.
2019. Angewandte Chemie, 131 (33), 11407–11412. doi:10.1002/ANGE.201904030

Spin-crossover in iron(II)-Schiff base complexes
Senthil Kumar, K.; Bayeh, Y.; Gebretsadik, T.; Elemo, F.; Gebrezgiabher, M.; Thomas, M.; Ruben, M.
2019. Dalton transactions, 48 (41), 15321–15337. doi:10.1039/C9DT02085C

Syntheses, Crystal Structure, Electrocatalytic, and Magnetic Properties of the Monolanthanide-Containing Germanotungstates [Ln(HO)GeWO] (Ln = Dy, Er, n = 4,3)
Ibrahim, M.; Mbomekallé, I. M.; De Oliveira, P.; Baksi, A.; Carter, A. B.; Peng, Y.; Bergfeldt, T.; Malik, S.; Anson, C. E.
2019. ACS omega, 4 (26), 21873–21882. doi:10.1021/acsomega.9b02846

A highly stable, Au/Ru heterobimetallic photoredox catalyst with a [2.2]paracyclophane backbone
Knoll, D. M.; Zippel, C.; Hassan, Z.; Nieger, M.; Weis, P.; Kappes, M. M.; Bräse, S.
2019. Dalton transactions, 48 (48), 17704–17708. doi:10.1039/c9dt04366g

Binding affinities of cucurbit[n]urils with cations
Zhang, S.; Grimm, L.; Miskolczy, Z.; Biczók, L.; Biedermann, F.; Nau, W. M.
2019. Chemical communications, 55 (94), 14131–14134. doi:10.1039/c9cc07687e

Nanogymnastics: Visualization of intercluster reactions by high-resolution trapped ion mobility mass spectrometry
Baksi, A.; Schneider, E. K.; Weis, P.; Krishnadas, K. R.; Ghosh, D.; Hahn, H.; Pradeep, T.; Kappes, M. M.
2019. The journal of physical chemistry <Washington, DC> / C, 123, 28477–28485. doi:10.1021/acs.jpcc.9b08686

Influence of ligand substitution on magnetic hyperfine interaction in Dy-based single-molecule magnets/toroics
Scherthan, L.; Ruppert, T.; Peng, Y.; Baniodeh, A.; Auerbach, H.; Hochdörffer, T.; Wolny, J. A.; Bi, W.; Zhao, J.; Hu, M. Y.; Toellner, T. S.; Alp, E. E.; Brown, D. E.; Anson, C. E.; Powell, A. K.; Schünemann, V.
2019. Hyperfine interactions, 240 (1), Art.-Nr.: 124. doi:10.1007/s10751-019-1669-5

A Chiral Macrocyclic Oligothiophene with Broken Conjugation – Rapid Racemization through Internal Rotation
Weiland, K. J.; Münch, N.; Gschwind, W.; Häussinger, D.; Mayor, M.
2019. Helvetica chimica acta, 102 (1), Art. Nr.: e1800205. doi:10.1002/hlca.201800205

Adsorption Structure of Mono- and Diradicals on a Cu(111) Surface: Chemoselective Dehalogenation of 4-Bromo-3″-iodo-p-terphenyl
Ebeling, D.; Zhong, Q.; Schlöder, T.; Tschakert, J.; Henkel, P.; Ahles, S.; Chi, L.; Mollenhauer, D.; Wegner, H. A.; Schirmeisen, A.
2019. ACS nano, 13 (1), 324–336. doi:10.1021/acsnano.8b06283

Aqueous Assembly of Zwitterionic Daisy Chains
Aeschi, Y.; Drayss-Orth, S.; Valášek, M.; Häussinger, D.; Mayor, M.
2019. Chemistry - a European journal, 25 (1), 285–295. doi:10.1002/chem.201803944

Synthesis and Catalytic Activity of Iron Hydride Ligated with Bidentate N-Heterocyclic Silylenes for Hydroboration of Carbonyl Compounds
Qi, X.; Zheng, T.; Zhou, J.; Dong, Y.; Zuo, X.; Li, X.; Sun, H.; Fuhr, O.; Fenske, D.
2019. Organometallics, 38 (2), 268–277. doi:10.1021/acs.organomet.8b00700

Low-Valent Group 14 Phosphinidenide Complexes [({SIDipp}P)2M] Exhibit P–M pπ–pπ Interaction (M=Ge, Sn, Pb)
Balmer, M.; Franzke, Y. J.; Weigend, F.; Hänisch, C.
2019. Chemistry - a European journal, 26 (1), 192–197. doi:10.1002/chem.201905061

Synthesis, Characterization, and Biological Properties of Steroidal Ruthenium(II) and Iridium(III) Complexes Based on the Androst-16-en-3-ol Framework
Koch, V.; Meschkov, A.; Feuerstein, W.; Pfeifer, J.; Fuhr, O.; Nieger, M.; Schepers, U.; Bräse, S.
2019. Inorganic chemistry, 58 (23), 15917–15926. doi:10.1021/acs.inorgchem.9b02402

Twists to the Spin Structure of the Ln 9 -diabolo Motif Exemplified in Two {Zn 2 Ln 2 }[Ln 9 ]{Zn 2 } Coordination Clusters
Griffiths, K.; Kühne, I. A.; Tizzard, G. J.; Coles, S. J.; Kostakis, G. E.; Powell, A. K.
2019. Inorganic chemistry, 58 (4), 2483–2490. doi:10.1021/acs.inorgchem.8b03048

Transition-Metal-Induced Rearrangement of [(PhSn)S] Towards Ternary Cu/Sn/S or Cu/Sn/S
Dornsiepen, E.; Weigend, F.; Dehnen, S.
2019. Chemistry - a European journal, 25 (10), 2486–2490. doi:10.1002/chem.201806407

Bunching and Immobilization of Ionic Liquids in Nanoporous Metal–Organic Framework
Kanj, A. B.; Verma, R.; Liu, M.; Helfferich, J.; Wenzel, W.; Heinke, L.
2019. Nano letters, 19 (3), 2114–2120. doi:10.1021/acs.nanolett.8b04694

Tuning the Metal/Chalcogen Composition in Copper(I)–Chalcogenide Clusters with Cyclic (Alkyl)(amino)carbene Ligands
Polgar, A. M.; Zhang, A.; Mack, F.; Weigend, F.; Lebedkin, S.; Stillman, M. J.; Corrigan, J. F.
2019. Inorganic chemistry, 58 (5), 3338–3348. doi:10.1021/acs.inorgchem.8b03399

Electrochemical Multiplexing: Control over Surface Functionalization by Combining a Redox-Sensitive Alkyne Protection Group with “Click”-Chemistry
Hellstern, M.; Gantenbein, M.; Le Pleux, L.; Puebla-Hellmann, G.; Lörtscher, E.; Mayor, M.
2019. Advanced materials interfaces, 6 (5), Art. Nr.: 1801917. doi:10.1002/admi.201801917

Probabilistic mapping of single molecule junction configurations as a tool to achieve the desired geometry of asymmetric tripodal molecules
Kolivoška, V.; Šebera, J.; Sebechlebská, T.; Lindner, M.; Gasior, J.; Mészáros, G.; Mayor, M.; Valášek, M.; Hromadová, M.
2019. Chemical communications, 55 (23), 3351–3354. doi:10.1039/c8cc09681c

2-(3-Cyanopropyldimethylsilyl)ethyl as a Polar Sulfur Protecting Group
Bannwart, L. M.; Rieder, P. S.; Mayor, M.
2019. Synthesis, 51 (22), 4153–4164. doi:10.1055/s-0039-1690184

Preparation of Unsymmetrical Disulfides from Thioacetates and Thiosulfonates
Delarue Bizzini, L.; Zwick, P.; Mayor, M.
2019. European journal of organic chemistry, 2019 (41), 6956–6960. doi:10.1002/ejoc.201901283

Mono- And Dinuclear Coinage Metal Complexes Supported by an Imino-Pyridine-NHC Ligand: Structural and Photophysical Studies
Simler, T.; Möbius, K.; Müller, K.; Feuerstein, T. J.; Gamer, M. T.; Lebedkin, S.; Kappes, M. M.; Roesky, P. W.
2019. Organometallics, 38 (19), 3649–3661. doi:10.1021/acs.organomet.9b00449

Exchange Interactions in Heteronuclear Clusters Containing Dysprosium Ions: EPR Spectroscopy Possibility
Galeev, R. T.; Mingalieva, L. V.; Sukhanov, A. A.; Voronkova, V. K.; Peng, Y.; Powell, A. K.
2019. Applied magnetic resonance, 50 (12), 1429–1441. doi:10.1007/s00723-019-01160-6

Light-Switchable One-Dimensional Photonic Crystals Based on MOFs with Photomodulatable Refractive Index
Zhang, Z.; Müller, K.; Heidrich, S.; Koenig, M.; Hashem, T.; Schlöder, T.; Bléger, D.; Wenzel, W.; Heinke, L.
2019. The journal of physical chemistry letters, 10 (21), 6626–6633. doi:10.1021/acs.jpclett.9b02614

Neutralization of insulin by photocleavage under high vacuum
Schätti, J.; Kriegleder, M.; Debiossac, M.; Kerschbaum, M.; Geyer, P.; Mayor, M.; Arndt, M.; Köhler, V.
2019. Chemical communications, 55 (83), 12507–12510. doi:10.1039/c9cc05712a

Design of Nanocomposite Injectable Hydrogels for Minimally Invasive Surgery
Piantanida, E.; Alonci, G.; Bertucci, A.; De Cola, L.
2019. Accounts of chemical research, 52 (8), 2101–2112. doi:10.1021/acs.accounts.9b00114

Concentration dependent energy levels shifts in donor-acceptor mixtures due to intermolecular electrostatic interaction
Bag, S.; Friederich, P.; Kondov, I.; Wenzel, W.
2019. Scientific reports, 9 (1), Art. Nr.: 12424. doi:10.1038/s41598-019-48877-9

Polyoxometalate-based high-spin cluster systems: a NMR relaxivity study up to 1.4 GHz/33 T
Ibrahim, M.; Krämer, S.; Schork, N.; Guthausen, G.
2019. Dalton transactions, 48 (41), 15597–15604. doi:10.1039/c9dt02052g

Synthesis, structure and electrochemical characterization of an isopolytungstate (W4O16) held by MnII anchors within a superlacunary crown heteropolyanion {P8W48}
Ibrahim, M.; Mbomekallé, I. M.; Oliveira, P. de; Kostakis, G. E.; Anson, C. E.
2019. Dalton transactions, 48 (41), 15545–15552. doi:10.1039/c9dt02478f

Understanding the Superior Stability of Single‐Molecule Magnets on an Oxide Film
Studniarek, M.; Wäckerlin, C.; Singha, A.; Baltic, R.; Diller, K.; Donati, F.; Rusponi, S.; Brune, H.; Lan, Y.; Klyatskaya, S.; Ruben, M.; Seitsonen, A. P.; Dreiser, J.
2019. Advanced science, 6 (22), Article: 1901736. doi:10.1002/advs.201901736

Disorder compensation controls doping efficiency in organic semiconductors
Fediai, A.; Symalla, F.; Friederich, P.; Wenzel, W.
2019. Nature Communications, 10 (1), Article: 4547. doi:10.1038/s41467-019-12526-6

9-Cobalt(II)-Containing 27-Tungsto-3-germanate(IV): Synthesis, Structure, Computational Modeling, and Heterogeneous Water Oxidation Catalysis
Haider, A.; Bassil, B. S.; Soriano-López, J.; Qasim, H. M.; Sáenz de Pipaón, C.; Ibrahim, M.; Dutta, D.; Koo, Y.-S.; Carbó, J. J.; Poblet, J. M.; Galán-Mascarós, J. R.; Kortz, U.
2019. Inorganic chemistry, 58 (17), 11308–11316. doi:10.1021/acs.inorgchem.9b01495

Metal–Ligand Interface in the Chemical Reactions of Ligand-Protected Noble Metal Clusters
Krishnadas, K. R.; Natarajan, G.; Baksi, A.; Ghosh, A.; Khatun, E.; Pradeep, T.
2019. Langmuir, 35 (35), 11243–11254. doi:10.1021/acs.langmuir.8b03493

Low-valent homobimetallic Rh complexes: influence of ligands on the structure and the intramolecular reactivity of Rh–H intermediates
Jurt, P.; Salnikov, O. G.; Gianetti, T. L.; Chukanov, N. V.; Baker, M. G.; Le Corre, G.; Borger, J. E.; Verel, R.; Gauthier, S.; Fuhr, O.; Kovtunov, K. V.; Fedorov, A.; Fenske, D.; Koptyug, I. V.; Grützmacher, H.
2019. Chemical science, 10 (34), 7937–7945. doi:10.1039/c9sc02683e

A family of planar hexanuclear CoIII4LnIII2 clusters with lucanidae-like arrangement and single-molecule magnet behavior
Li, Q.; Peng, Y.; Qian, J.; Yan, T.; Du, L.; Zhao, Q.
2019. Dalton transactions, 48 (34), 12880–12887. doi:10.1039/c9dt02103e

On the macrocyclization selectivity of meta-substituted diamines and dialdehydes: towards macrocycles with tunable functional peripheries
Klein, G.; Llevot, A.; Löser, P.; Bitterer, B.; Helfferich, J.; Wenzel, W.; Barner-Kowollik, C.; Meier, M. A. R.
2019. Journal of inclusion phenomena and macrocyclic chemistry, 95 (1-2), 119–134. doi:10.1007/s10847-019-00931-9

Magnetic anisotropy in trigonal planar Fe(ii) bis(trimethylsilyl)amido complexes of the type [Fe{N(SiMe₃)₂}₂L]—experiment and theory
Bodenstein, T.; Eichhöfer, A.
2019. Dalton transactions, 48, 15699–15712. doi:10.1039/c9dt01702j

Synthesis and characterization of rigid [2.2]paracyclophane–porphyrin conjugates as scaffolds for fixed-distance bimetallic complexes
Knoll, D. M.; Wiesner, T. B.; Marschner, S. M.; Hassan, Z.; Weis, P.; Kappes, M.; Nieger, M.; Bräse, S.
2019. RSC Advances, 9 (52), 30541–30544. doi:10.1039/c9ra07055a

Boosting OLED Performance with Ab-initio Modeling of Roll-off and Quenching Processes
Symalla, F.; Heidrich, S.; Kubillus, M.; Strunk, T.; Neumann, T.; Wenzel, W.
2019. Digest of technical papers, 50 (1), 259–262. doi:10.1002/sdtp.12905

Unravelling the conductance path through single-porphyrin junctions
El Abbassi, M.; Zwick, P.; Rates, A.; Stefani, D.; Prescimone, A.; Mayor, M.; Van Der Zant, H. S. J.; Dulić, D.
2019. Chemical science, 10 (36), 8299–8305. doi:10.1039/c9sc02497b

Quantum superposition of molecules beyond 25 kDa
Fein, Y. Y.; Geyer, P.; Zwick, P.; Kiałka, F.; Pedalino, S.; Mayor, M.; Gerlich, S.; Arndt, M.
2019. Nature physics, 15 (12), 1242–1245. doi:10.1038/s41567-019-0663-9

Calculation of vibrationally resolved absorption spectra of acenes and pyrene
Benkyi, I.; Tapavicza, E.; Fliegl, H.; Sundholm, D.
2019. Physical chemistry, chemical physics, 21 (37), 21094–21103. doi:10.1039/c9cp04178h

Multimodeling Approach to Ferromagnetic Spin-Wave Excitations in the High-Spin Cluster MnSr Observed by Inelastic Neutron Scattering
Nekuruh, S.; Nehrkorn, J.; Prsa, K.; Dreiser, J.; Ako, A. M.; Anson, C. E.; Unruh, T.; Powell, A. K.; Waldmann, O.
2019. Inorganic chemistry, 58 (16), 11256–11268. doi:10.1021/acs.inorgchem.9b02134

From the loom to the laboratory: Molecular textiles
Di Silvestro, A.; Mayor, M.
2019. Chimia, 73 (6), 455–461. doi:10.2533/chimia.2019.455

Tetranuclear Cu(II)-chiral complexes: synthesis, characterization and biological activity
Peewasan, K.; Merkel, M. P.; Zarschler, K.; Stephan, H.; Anson, C. E.; Powell, A. K.
2019. RSC Advances, 9 (42), 24087–24091. doi:10.1039/c9ra03586a

Three-dimensional aromaticity in an antiaromatic cyclophane
Nozawa, R.; Kim, J.; Oh, J.; Lamping, A.; Wang, Y.; Shimizu, S.; Hisaki, I.; Kowalczyk, T.; Fliegl, H.; Kim, D.; Shinokubo, H.
2019. Nature Communications, 10 (1), Article No.3576. doi:10.1038/s41467-019-11467-4

Error-consistent segmented contracted all-electron relativistic basis sets of double- and triple-zeta quality for NMR shielding constants
Franzke, Y. J.; Treß, R.; Pazdera, T. M.; Weigend, F.
2019. Physical chemistry, chemical physics, 21 (30), 16658–16664. doi:10.1039/c9cp02382h

Tuning the contact conductance of anchoring groups in single molecule junctions by molecular design
Šebera, J.; Lindner, M.; Gasior, J.; Mészáros, G.; Fuhr, O.; Mayor, M.; Valášek, M.; Kolivoška, V.; Hromadová, M.
2019. Nanoscale, 11 (27), 12959–12964. doi:10.1039/c9nr04071d

A Lithium‐Free Energy‐Storage Device Based on an Alkyne‐Substituted‐Porphyrin Complex
Chen, Z.; Gao, P.; Wang, W.; Klyatskaya, S.; Zhao-Karger, Z.; Wang, D.; Kübel, C.; Fuhr, O.; Fichtner, M.; Ruben, M.
2019. ChemSusChem, 12 (16), 3737–3741. doi:10.1002/CSSC.201901541

On‐Surface Activation of Trimethylsilyl‐Terminated Alkynes on Coinage Metal Surfaces
Zhang, L.; Zhang, Y.-Q.; Chen, Z.; Lin, T.; Paszkiewicz, M.; Hellwig, R.; Huang, T.; Ruben, M.; Barth, J. V.; Klappenberger, F.
2019. ChemPhysChem, 20 (18), 2382–2393. doi:10.1002/cphc.201900249

Surface‐Dependent Chemoselectivity in C−C Coupling Reactions
Chen, Z.; Lin, T.; Zhang, L.; Zhang, L.; Xiang, B.; Xu, H.; Klappenberger, F.; Barth, J. V.; Klyatskaya, S.; Ruben, M.
2019. Angewandte Chemie, 131 (25), 8444–8449. doi:10.1002/ange.201900636

Synthesis, structures and magnetic properties of [(η9-C9H9)Ln(η8-C8H8)] super sandwich complexes
Münzfeld, L.; Schoo, C.; Bestgen, S.; Moreno-Pineda, E.; Köppe, R.; Ruben, M.; Roesky, P. W.
2019. Nature Communications, 10 (1), 3135. doi:10.1038/s41467-019-10976-6

Materials Research in the Information Age
Kraft, O.; Wenzel, W.; Wöll, C.
2019. Advanced materials, 31 (26), Art.Nr.: 1902591. doi:10.1002/adma.201902591

Effects of the Molecular Design on the Supramolecular Organization of Luminescent Pt(II) Complexes
Aliprandi, A.; Capaldo, L.; Bobica, C.; Silvestrini, S.; De Cola, L.
2019. Israel journal of chemistry, 59 (10), 892–897. doi:10.1002/ijch.201900047

Turn on of sky-blue thermally activated delayed fluorescence and circularly polarized luminescence (CPL): Via increased torsion by a bulky carbazolophane donor
Sharma, N.; Spuling, E.; Mattern, C. M.; Li, W.; Fuhr, O.; Tsuchiya, Y.; Adachi, C.; Bräse, S.; Samuel, I. D. W.; Zysman-Colman, E.
2019. Chemical science, 10 (27), 6689–6696. doi:10.1039/c9sc01821b

Rational design and implementation of a cucurbit[8]uril-based indicator-displacement assay for application in blood serum
Sinn, S.; Spuling, E.; Bräse, S.; Biedermann, F.
2019. Chemical science, 10 (27), 6584–6593. doi:10.1039/c9sc00705a

Stabilization of Pancake Bonding in (TCNQ)₂.⁻ Dimers in the Radical‐Anionic Salt (N−CH₃−2‐NH₂−5Cl−Py)(TCNQ)(CH₃CN) Solvate and Antiferromagnetism Induction
Starodub, T. N.; Čižmár, E.; Kliuikov, A.; Starodub, V. A.; Feher, A.; Kozlowska, M.
2019. ChemistryOpen, 8 (7), 984–988. doi:10.1002/open.201900179

Photomodulation of Two-Dimensional Self-Assembly of Azobenzene-Hexa- peri-hexabenzocoronene-Azobenzene Triads
Hou, I. C.-Y.; Diez-Cabanes, V.; Galanti, A.; Valášek, M.; Mayor, M.; Cornil, J.; Narita, A.; Samorì, P.; Müllen, K.
2019. Chemistry of materials, 31 (17), 6979–6985. doi:10.1021/acs.chemmater.9b01535

Quantum Tunneling Mediated Interfacial Synthesis of a Benzofuran Derivative
Paintner, T.; Björk, J.; Du, P.; Klyatskaya, S.; Paszkiewicz, M.; Hellwig, R.; Uphoff, M.; Öner, M. A.; Cuniberto, E.; Deimel, P. S.; Zhang, Y.-Q.; Palma, C.-A.; Allegretti, F.; Ruben, M.; Barth, J. V.; Klappenberger, F.
2019. Angewandte Chemie / International edition, 58 (33), 11285–11290. doi:10.1002/anie.201904030

Rational design of iron oxide binding peptide tags
Schwaminger, S. P.; Anand, P.; Borkowska-Panek, M.; Blank-Shim, S. A.; Fraga-García, P.; Fink, K.; Berensmeier, S.; Wenzel, W.
2019. Langmuir, 35 (25), 8472–8481. doi:10.1021/acs.langmuir.9b00729

Trends in therapeutic antibody affinity maturation: From in-vitro towards next-generation sequencing approaches
Tabasinezhad, M.; Talebkhan, Y.; Wenzel, W.; Rahimi, H.; Omidinia, E.; Mahboudi, F.
2019. Immunology letters, 212, 106–113. doi:10.1016/j.imlet.2019.06.009

Triplet exciton diffusion in metalorganic phosphorescent host-guest systems from first principles
Vries, X. de; Friederich, P.; Wenzel, W.; Coehoorn, R.; Bobbert, P. A.
2019. Physical review / B, 99 (20), Art.Nr. 205201. doi:10.1103/PhysRevB.99.205201

New olefin metathesis catalyst bearing N-mesitylimidazole and nitrate ligands – Synthesis, activity, and performance in aqueous media
Malinowska, M.; Kozlowska, M.; Hryniewicka, A.; Morzycki, J. W.
2019. Journal of organometallic chemistry, 896, 154–161. doi:10.1016/j.jorganchem.2019.06.018

The coordination behavior of 2,3-bis(diphenylphosphino)maleic-phenylimide towards copper, silver, gold and palladium
Wang, Y.; Eichhöfer, A.; Weigend, F.; Fenske, D.; Fuhr, O.
2019. Dalton transactions, 48 (20), 6863–6871. doi:10.1039/c8dt05003a

Enhanced Separation Concept (ESC): Removing the Functional Subunit from the Electrode by Molecular Design
Brandl, T.; El Abbassi, M.; Stefani, D.; Frisenda, R.; Harzmann, G. D.; Van der Zant, H. S. J.; Mayor, M.
2019. European journal of organic chemistry, (31/32), SI. doi:10.1002/ejoc.201900432

Effect of Geometrical Structure, Drying, and Synthetic Method on Aminated Chitosan-Coated Magnetic Nanoparticles Utility for HSA Effective Immobilization
Ziegler-Borowska, M.; Mylkie, K.; Kozlowska, M.; Nowak, P.; Chelminiak-Dudkiewicz, D.; Kozakiewicz, A.; Ilnicka, A.; Kaczmarek-Kedziera, A.
2019. Molecules, 24 (10), Art.Nr. 1925. doi:10.3390/molecules24101925

A New Class of Rigid Multi(azobenzene) Switches Featuring Electronic Decoupling: Unravelling the Isomerization in Individual Photochromes
Galanti, A.; Santoro, J.; Mannancherry, R.; Duez, Q.; Diez-Cabanes, V.; Valášek, M.; De Winter, J.; Cornil, J.; Gerbaux, P.; Mayor, M.; Samorì, P.
2019. Journal of the American Chemical Society, 141 (23), 9273–9283. doi:10.1021/jacs.9b02544

Photoconductivity in Metal–Organic Framework (MOF) Thin Films
Liu, X.; Kozlowska, M.; Okkali, T.; Wagner, D.; Higashino, T.; Brenner-Weiß, G.; Marschner, S. M.; Fu, Z.; Zhang, Q.; Imahori, H.; Bräse, S.; Wenzel, W.; Wöll, C.; Heinke, L.
2019. Angewandte Chemie / International edition, 58 (28), 9590–9595. doi:10.1002/anie.201904475

Mechanism of magnetisation relaxation in M III 2 Dy III 2 (M = Cr, Mn, Fe, Al) “butterfly” complexes: How important are the transition metal ions here?
Peng, Y.; Singh, M. K.; Mereacre, V.; Anson, C. E.; Rajaraman, G.; Powell, A. K.
2019. Chemical science, 10 (21), 5528–5538. doi:10.1039/c8sc05362f

Surface-Dependent Chemoselectivity in C−C Coupling Reactions
Chen, Z.; Lin, T.; Zhang, L.; Zhang, L.; Xiang, B.; Xu, H.; Klappenberger, F.; Barth, J. V.; Klyatskaya, S.; Ruben, M.
2019. Angewandte Chemie / International edition, 58, 8356–8361. doi:10.1002/anie.201900636

Quantum tunnelling of the magnetisation in single-molecule magnet isotopologue dimers
Moreno-Pineda, E.; Taran, G.; Wernsdorfer, W.; Ruben, M.
2019. Chemical science, 10 (19), 5138–5145. doi:10.1039/c9sc01062a

Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence
Feuerstein, T. J.; Goswami, B.; Rauthe, P.; Köppe, R.; Lebedkin, S.; Kappes, M. M.; Roesky, P. W.
2019. Chemical science, 10 (18), 4742–4749. doi:10.1039/c9sc00629j

Six state molecular revolver mounted on a rigid platform
Homberg, J.; Lindner, M.; Gerhard, L.; Edelmann, K.; Frauhammer, T.; Nahas, Y.; Valášek, M.; Mayor, M.; Wulfhekel, W.
2019. Nanoscale, 11 (18), 9015–9022. doi:10.1039/c9nr00259f

Identification of the A293 (AVE1231) Binding Site in the Cardiac Two-Pore-Domain Potassium Channel TASK-1: a Common Low Affinity Antiarrhythmic Drug Binding Site
Wiedmann, F.; Kiper, A. K.; Bedoya, M.; Ratte, A.; Rinné, S.; Kraft, M.; Waibel, M.; Anad, P.; Wenzel, W.; González, W.; Katus, H. A.; Decher, N.; Schmidt, C.
2019. Cellular physiology and biochemistry, 52 (5), 1223–1235. doi:10.33594/000000083

Toward Design of Novel Materials for Organic Electronics
Friederich, P.; Fediai, A.; Kaiser, S.; Konrad, M.; Jung, N.; Wenzel, W.
2019. Advanced materials, 31 (26), Art.Nr. 1808256. doi:10.1002/adma.201808256

High-Quality Data of Protein/Peptide Interaction by Isothermal Titration Calorimetry
Ramirez, J.; Nominé, Y.
2019. Methods in molecular biology, 1964, 99–117. doi:10.1007/978-1-4939-9179-2_8

Polynuclear Iron(II) Complexes with 2,6-Bis(pyrazol-1-yl)pyridine-anthracene Ligands Exhibiting Highly Distorted High-Spin Centers
Šalitroš, I.; Herchel, R.; Fuhr, O.; González-Prieto, R.; Ruben, M.
2019. Inorganic chemistry, 58, 4310–4319. doi:10.1021/acs.inorgchem.8b03432

Bi-stable spin-crossover characteristics of a highly distorted [Fe(1-BPP-COOCH)](ClO)·CHCN complex
Senthil Kumar, K.; Heinrich, B.; Vela, S.; Moreno-Pineda, E.; Bailly, C.; Ruben, M.
2019. Dalton transactions, 48 (12), 3825–3830. doi:10.1039/c8dt04928a

Synthesizing Highly Regular Single-Layer Alkynyl-Silver Networks at the Micrometer Scale via Gas-Mediated Surface Reaction
Zhang, Y.-Q.; Paintner, T.; Hellwig, R.; Haag, F.; Allegretti, F.; Feulner, P.; Klyatskaya, S.; Ruben, M.; Seitsonen, A. P.; Barth, J. V.; Klappenberger, F.
2019. Journal of the American Chemical Society, 141 (13), 5087–5091. doi:10.1021/jacs.8b13547

Trinuclear and Hexanuclear Lanthanide(III) Complexes of the Chiral 3+3 Macrocycle: X-ray Crystal Structures and Magnetic Properties
Bereta, T.; Mondal, A.; Ślepokura, K.; Peng, Y.; Powell, A. K.; Lisowski, J.
2019. Inorganic chemistry, 58, 4201–4213. doi:10.1021/acs.inorgchem.8b03266

Beyond Simple Substitution Patterns – Symmetrically Tetrasubstituted [2.2]Paracyclophanes as 3D Functional Materials
Weiland, K. J.; Gallego, A.; Mayor, M.
2019. European journal of organic chemistry, 2019 (20), 3073–3085. doi:10.1002/ejoc.201900061

Semiconductor Nanocrystal Engineering by Applying Thiol- and Solvent-Coordinated Cation Exchange Kinetics
Bai, B.; Xu, M.; Li, N.; Chen, W.; Liu, J.; Liu, J.; Rong, H.; Fenske, D.; Zhang, J.
2019. Angewandte Chemie / International edition, 58 (15), 4852–4857. doi:10.1002/anie.201807695

Chasing BODIPY: Enhancement of Luminescence in Homoleptic Bis(dipyrrinato) Zn II Complexes Utilizing Symmetric and Unsymmetrical Dipyrrins
Tungulin, D.; Leier, J.; Carter, A. B.; Powell, A. K.; Albuquerque, R. Q.; Unterreiner, A. N.; Bizzarri, C.
2019. Chemistry - a European journal, 25 (15), 3816–3827. doi:10.1002/chem.201806330

Synthetic Hilbert Space Engineering of Molecular Qudits: Isotopologue Chemistry
Wernsdorfer, W.; Ruben, M.
2019. Advanced materials, 31 (26), Art,-Nr.: 1806687. doi:10.1002/adma.201806687

Ni(II) 10-Phosphacorrole: A Porphyrin Analogue Containing Phosphorus at the Meso Position
Omori, H.; Hiroto, S.; Takeda, Y.; Fliegl, H.; Minakata, S.; Shinokubo, H.
2019. Journal of the American Chemical Society, 141 (12), 4800–4805. doi:10.1021/jacs.8b13169

Fragmentation and Distortion of Terpyridine-Based Spin-Crossover Complexes on Au(111)
Knaak, T.; González, C.; Dappe, Y. J.; Harzmann, G. D.; Brandl, T.; Mayor, M.; Berndt, R.; Gruber, M.
2019. The journal of physical chemistry <Washington, DC> / C, 123 (7), 4178–4185. doi:10.1021/acs.jpcc.8b11242

Size Matters: From Two-Dimensional Au –Tl Metallopolymers to Molecular Complexes by Simple Variation of the Steric Demand
Seifert, T. P.; Knoefel, N. D.; Feuerstein, T. J.; Reiter, K.; Lebedkin, S.; Gamer, M. T.; Boukis, A. C.; Weigend, F.; Kappes, M. M.; Roesky, P. W.
2019. Chemistry - a European journal, 25 (15), 3799–3808. doi:10.1002/chem.201805984

Layered Ln(III) Complexes from a Sulfonate-Based 1,8-Naphthalimide: Structures, Magnetism and Photophysics
Carter, A. B.; Zhang, N.; Kühne, I. A.; Keene, T. D.; Powell, A. K.; Kitchen, J. A.
2019. ChemistrySelect, 4 (6), 1850–1856. doi:10.1002/slct.201900152

Slow Formation of Pseudorotaxanes in Water
Aeschi, Y.; Jucker, L.; Häussinger, D.; Mayor, M.
2019. European journal of organic chemistry, 2019 (21), 3384–3390. doi:10.1002/ejoc.201801864

Mechanical Stabilization of Helical Chirality in a Macrocyclic Oligothiophene
Weiland, K. J.; Brandl, T.; Atz, K.; Prescimone, A.; Häussinger, D.; Šolomek, T.; Mayor, M.
2019. Journal of the American Chemical Society, 141 (5), 2104–2110. doi:10.1021/jacs.8b11797

NMR Shielding Tensors and Chemical Shifts in Scalar-Relativistic Local Exact Two-Component Theory
Franzke, Y. J.; Weigend, F.
2019. Journal of chemical theory and computation, 15 (2), 1028–1043. doi:10.1021/acs.jctc.8b01084

1‐D Polymeric Iron(II) Thiolato Complexes: Synthesis, Structure, and Properties of [Fe(SR)] (R = Ph, Mes), [Fe(NH)(SPh)(‐SPh)] and [(‐SPh)Fe(NH)(‐SPh)Fe(‐SPh)]
Eichhöfer, A.; Buth, G.
2019. European journal of inorganic chemistry, 2019 (5), 639–646. doi:10.1002/ejic.201801178

Tuning and controlling the shape of mesoporous silica particles with CTAB/sodium deoxycholate catanionic mixtures
Travaglini, L.; Picchetti, P.; Del Giudice, A.; Galantini, L.; De Cola, L.
2019. Microporous and mesoporous materials, 279, 423–431. doi:10.1016/j.micromeso.2019.01.030

Anion influence on spin state in two novel Fe(III) compounds: [Fe(5F-sal2333)]X
Sundaresan, S.; Kühne, I. A.; Kelly, C. T.; Barker, A.; Salley, D.; Müller-Bunz, H.; Powell, A. K.; Morgan, G. G.
2019. Crystals, 9 (1), Art. Nr.: 19. doi:10.3390/cryst9010019

Improvement of electrochemical properties of P2-type Na2/3Mn2/3Ni1/3O2 sodium ion battery cathode material by water-soluble binders
Zhang, Y.-Y.; Zhang, S.-J.; Li, J.-T.; Wang, K.; Zhang, Y.-C.; Liu, Q.; Xie, R.-S.; Pei, Y.-R.; Huang, L.; Sun, S.-G.
2019. Electrochimica acta, 298, 496–504. doi:10.1016/j.electacta.2018.12.089

Single Crystal Investigations Unravel the Magnetic Anisotropy of the “Square-In Square” Cr₄Dy₄ SMM Coordination Cluster
Perfetti, M.; Rinck, J.; Cucinotta, G.; Anson, C. E.; Gong, X.; Ungur, L.; Chibotaru, L.; Boulon, M.-E.; Powell, A. K.; Sessoli, R.
2019. Frontiers in Chemistry, 7, Article: 6. doi:10.3389/fchem.2019.00006

In-situ formation of one-dimensional coordination polymers in molecular junctions
Vladyka, A.; Perrin, M. L.; Overbeck, J.; Ferradás, R. R.; García-Suárez, V.; Gantenbein, M.; Brunner, J.; Mayor, M.; Ferrer, J.; Calame, M.
2019. Nature Communications, 10 (1), Article no 262. doi:10.1038/s41467-018-08025-9

Highly degradable imine-doped mesoporous silica particles
Travaglini, L.; Picchetti, P.; Totovao, R.; Prasetyanto, E. A.; De Cola, L.
2019. Materials chemistry frontiers, 3 (1), 111–119. doi:10.1039/c8qm00438b

Host dependence of the electron affinity of molecular dopants
Li, J.; Duchemin, I.; Roscioni, O. M.; Friederich, P.; Anderson, M.; Da Como, E.; Kociok-Köhn, G.; Wenzel, W.; Zannoni, C.; Beljonne, D.; Blase, X.; D’Avino, G.
2019. Materials Horizons, 6 (1), 107–114. doi:10.1039/c8mh00921j

¹⁶¹Dy Time-Domain Synchrotron Mössbauer Spectroscopy for Investigating Single-Molecule Magnets Incorporating Dy Ions
Scherthan, L.; Schmidt, S. F. M.; Auerbach, H.; Hochdörffer, T.; Wolny, J. A.; Bi, W.; Zhao, J.; Hu, M. Y.; Toellner, T.; Alp, E. E.; Brown, D. E.; Anson, C. E.; Powell, A. K.; Schünemann, V.
2019. Angewandte Chemie / International edition, 58 (11), 3444–3449. doi:10.1002/anie.201810505

Synthesis of five isostructural tetranuclear Fe₂Ln₂ (Ln = Gd, Tb, Dy, Ho, Er) complexes with an “inverse butterfly” core
Abbas, G.; Ibrahim, M.; Schmidt, S. F. M.; Moreno-Pineda, E.; Anson, C. E.; Powell, A. K.
2019. Polyhedron, 158, 255–261. doi:10.1016/j.poly.2018.06.051

The transient production of anti-TNF-α antibody Adalimumab and a comparison of its characterization to the biosimilar Cinorra
Tabasinezhad, M.; Mahboudi, F.; Wenzel, W.; Rahimi, H.; Walther, T. H.; Blattner, C.; Omidinia, E.
2019. Protein expression and purification, 155, 59–65. doi:10.1016/j.pep.2018.11.006

Butterfly-shaped, heterometallic, hexanuclear, [FeLn] (Ln = Gd, Tb, Dy and Ho) Complexes: Syntheses, structure and magnetism
Dey, A.; Das, S.; Mereacre, V.; Powell, A. K.; Chandrasekhar, V.
2019. Inorganica chimica acta, 486, 458–467. doi:10.1016/j.ica.2018.08.014

Scale-Bridging Models for Organic Semiconductors
Wenzel, W.; Friederich, P.; Symalla, F.; Fediai, A.; Meded, V.; Colsmann, A.; Ruben, M.
2019. Proceedings of the nanoGe Fall Meeting 2019, Presentation 010, Fundació Scito. doi:10.29363/NANOGE.NFM.2019.010

Transition metal complexes in ECL: Diagnostics and biosensing
Aliprandi, A.; Dimarco, B. N.; De Cola, L.
2019. Photochemistry. Ed.: S. Protti, 319–351, Royal Society of Chemistry (RSC). doi:10.1039/9781788013598-00319

26-4: Computer-Aided Optimization of Multilayer OLED Devices
Symalla, F.; Friederich, P.; Kaiser, S.; Strunk, T.; Neumann, T.; Wenzel, W.
2018. Digest of technical papers, 49 (1), 340–342. doi:10.1002/sdtp.12556

Pushing the mass limit for intact launch and photoionization of large neutral biopolymers
Schätti, J.; Rieser, P.; Sezer, U.; Richter, G.; Geyer, P.; Rondina, G. G.; Häussinger, D.; Mayor, M.; Shayeghi, A.; Köhler, V.; Arndt, M.
2018. Communications chemistry, 1 (1), 93. doi:10.1038/s42004-018-0095-y

Selective detection of α4β1 integrin (VLA-4)-expressing cells using peptide-functionalized nanostructured materials mimicking endothelial surfaces adjacent to inflammatory sites
De Marco, R.; Greco, A.; Calonghi, N.; Dattoli, S. D.; Baiula, M.; Spampinato, S.; Picchetti, P.; De Cola, L.; Anselmi, M.; Cipriani, F.; Gentilucci, L.
2018. Peptide science, 110 (5), Article No.e23081. doi:10.1002/bip.23081

Reshaping silica particles: Mesoporous nanodiscs for bimodal delivery and improved cellular uptake
Giglio, V.; Varela-Aramburu, S.; Travaglini, L.; Fiorini, F.; Seeberger, P. H.; Maggini, L.; De Cola, L.
2018. The chemical engineering journal, 340, 148–154. doi:10.1016/j.cej.2018.01.059

Morphology Control of Mesoporous Silica Particles Using Bile Acids as Cosurfactants
Travaglini, L.; De Cola, L.
2018. Chemistry of materials, 30 (12), 4168–4175. doi:10.1021/acs.chemmater.8b01873

Cavitation energies can outperform dispersion interactions
He, S.; Biedermann, F.; Vankova, N.; Zhechkov, L.; Heine, T.; Hoffman, R. E.; De Simone, A.; Duignan, T. T.; Nau, W. M.
2018. Nature chemistry, 10 (12), 1252–1257. doi:10.1038/s41557-018-0146-0

Anomalous diffusion of water molecules at grain boundaries in ice I
Moreira, P. A. F. P.; Veiga, R. G. de A.; Ribeiro, I. de A.; Freitas, R.; Helfferich, J.; Koning, M. de
2018. Physical chemistry, chemical physics, 20 (20), 13944–13951. doi:10.1039/c8cp00933c

H line width dependence on MAS speed in solid state NMR – Comparison of experiment and simulation
Sternberg, U.; Witter, R.; Kuprov, I.; Lamley, J. M.; Oss, A.; Lewandowski, J. R.; Samoson, A.
2018. Journal of magnetic resonance, 291, 32–39. doi:10.1016/j.jmr.2018.04.003

A W-Shaped Ga-Dy-Dy-Dy-Ga Cluster: Synthesis, Characterization, and Magnetic Properties
Peng, Y.; Anson, C. E.; Powell, A. K.
2018. ChemPlusChem, 83 (7), 676–681. doi:10.1002/cplu.201800049

Gas-Phase Photoluminescence and Photodissociation of Silver-Capped Hexagold Clusters
Greisch, J.-F.; Ballester-Caudet, A.; Kruppa, S. V.; Lei, Z.; Wang, Q.-M.; Riehn, C.; Remacle, F.
2018. The journal of physical chemistry <Washington, DC> / A, 122 (27), 5799–5810. doi:10.1021/acs.jpca.8b01864

Synthesis and catalytic activity of N-heterocyclic silylene (NHSi) cobalt hydride for Kumada coupling reactions
Qi, X.; Sun, H.; Li, X.; Fuhr, O.; Fenske, D.
2018. Dalton transactions, 47 (8), 2581–2588. doi:10.1039/C7DT04155A

Synthesis of NHC Pincer Hydrido Nickel Complexes and Their Catalytic Applications in Hydrodehalogenation
Wang, Z.; Li, X.; Sun, H.; Fuhr, O.; Fenske, D.
2018. Organometallics, 37 (4), 539–544. doi:10.1021/acs.organomet.7b00848

Synthesis of silyl iron hydride via Si–H activation and its dual catalytic application in the hydrosilylation of carbonyl compounds and dehydration of benzamides
Ren, S.; Xie, S.; Zheng, T.; Wang, Y.; Xu, S.; Xue, B.; Li, X.; Sun, H.; Fuhr, O.; Fenske, D.
2018. Dalton transactions, 47 (12), 4352–4359. doi:10.1039/C8DT00289D

Synthesis and reactivity of silyl cobalt complexes bearing a tetradentate phosphino silyl ligand via Si–H bond activation
Zhang, P.; Xu, S.; Li, X.; Qi, X.; Sun, H.; Fuhr, O.; Fenske, D.
2018. Polyhedron, 143, 165–170. doi:10.1016/j.poly.2017.09.043

Transfer hydrogenation of aldehydes catalyzed by silyl hydrido iron complexes bearing a [PSiP] pincer ligand
Zhang, P.; Li, X.; Qi, X.; Sun, H.; Fuhr, O.; Fenske, D.
2018. RSC Advances, 8 (25), 14092–14099. doi:10.1039/C8RA02606H

Syntheses and properties of 2-azaallyl Iron(I) complexes via Csp³-H bond activation
Xing, J.; Sun, H.; Zheng, T.; Qi, X.; Li, X.; Fuhr, O.; Fenske, D.
2018. Journal of organometallic chemistry, 868, 61–65. doi:10.1016/j.jorganchem.2018.04.041

Sonogashira reactions of alkyl halides catalyzed by NHC [CNN] pincer nickel(II) complexes
Wang, Z.; Zheng, T.; Sun, H.; Li, X.; Fuhr, O.; Fenske, D.
2018. New journal of chemistry, 42 (14), 11465–11470. doi:10.1039/C8NJ02138D

Synthesis and characterization of bissilyl cobalt and iron hydrides bearing disilazane ligands via Si-H bond activation
Dong, Y.; Shi, Y.; Geng, Y.; Zheng, T.; Li, X.; Sun, H.; Fuhr, O.; Fenske, D.
2018. Inorganica chimica acta, 471, 99–103. doi:10.1016/j.ica.2017.10.043

Preparation of hydrido [CNC]-pincer cobalt complexes via selective C–H/C–F bond activation and their catalytic performances
Yang, F.; Wang, Y.; Lu, F.; Xie, S.; Qi, X.; Sun, H.; Li, X.; Fuhr, O.; Fenske, D.
2018. New journal of chemistry, 42 (19), 15578–15586. doi:10.1039/C8NJ02979B

Synthesis and catalytic application of [PPP]-pincer iron, nickel and cobalt complexes for the hydrosilylation of aldehydes and ketones
Qi, X.; Zhao, H.; Sun, H.; Li, X.; Fuhr, O.; Fenske, D.
2018. New journal of chemistry, 42 (20), 16583–16590. doi:10.1039/C8NJ03919D

Syntheses of hydrido selenophenolato iron(II) complexes and their catalytic application in hydrosilylation of aldehydes and ketones
Wang, Y.; Ren, S.; Zhang, W.; Xue, B.; Qi, X.; Sun, H.; Li, X.; Fuhr, O.; Fenske, D.
2018. Catalysis communications, 115, 1–5. doi:10.1016/j.catcom.2018.06.015

A Recoverable Complex with Nitrogen-Rich Double Rings for Hg(II) Sorption
Xu, W.-Q.; Lin, C.-C.; Qiu, Y.-X.; He, S.; Jiang, T.; Liu, X.-J.; Xie, L.-J.; Fuhr, O.; Fenske, D.; Jiang, J.-J.
2018. ChemistrySelect, 3 (26), 7592–7595. doi:10.1002/slct.201800073

An octahedral tetrachlorido Fe(II) complex with aminopyrazinium ligands from a serendipitous redox synthesis exhibiting magnetic exchange through non-covalent 3-D architectures
Rusbridge, E. K.; Peng, Y.; Powell, A. K.; Robinson, D.; Fitzpatrick, A. J.
2018. Dalton transactions, 47 (23), 7644–7648. doi:10.1039/C8DT01401A

Cover Feature: A W-Shaped Ga-Dy-Dy-Dy-Ga Cluster: Synthesis, Characterization, and Magnetic Properties (ChemPlusChem 7/2018)
Peng, Y.; Anson, C. E.; Powell, A. K.
2018. ChemPlusChem, 83 (7), 545. doi:10.1002/cplu.201800266

High spin cycles: topping the spin record for a single molecule verging on quantum criticality
Baniodeh, A.; Magnani, N.; Lan, Y.; Buth, G.; Anson, C. E.; Richter, J.; Affronte, M.; Schnack, J.; Powell, A. K.
2018. npj quantum materials, 3 (1), Article No.10. doi:10.1038/s41535-018-0082-7

Ion Mobility Measurements of Multianionic Metalloporphyrin Dimers: Structural Changes Induced by Countercation Exchange
Schneider, E.; Brendle, K.; Jäger, P.; Weis, P.; Kappes, M. M.
2018. Journal of the American Society for Mass Spectrometry, 29 (7), 1431–1441. doi:10.1007/s13361-018-1941-y

Detection of Intermediates in Dual Gold Catalysis Using High-Resolution Ion Mobility Mass Spectrometry
Greisch, J.-F.; Weis, P.; Brendle, K.; Kappes, M. M.; Haler, J. R. N.; Far, J.; De Pauw, E.; Albers, C.; Bay, S.; Wurm, T.; Rudolph, M.; Schulmeister, J.; Hashmi, A. S. K.
2018. Organometallics, 37 (9), 1493–1500. doi:10.1021/acs.organomet.8b00128

Luminescence of Amphiphilic PtII Complexes Controlled by Confinement
Atoini, Y.; Prasetyanto, E. A.; Chen, P.; Silvestrini, S.; Harrowfield, J.; De Cola, L.
2018. Chemistry - a European journal, 24 (46), 12054–12060. doi:10.1002/chem.201802743

Programmable and Sequence-Selective Supramolecular Assembly of Two Different Chromophores along DNA Templates
Hofsäß, R.; Sinn, S.; Biedermann, F.; Wagenknecht, H.-A.
2018. Chemistry - a European journal, 24 (61), 16257–16261. doi:10.1002/chem.201804314

Meltdown! Local Heating by Decaying Excited Host Positive Polarons Triggers Aggregation Quenching in Blue PhOLEDs
Setzer, T.; Friederich, P.; Meded, V.; Wenzel, W.; Lennartz, C.; Dreuw, A.
2018. ChemPhysChem, 19 (21), 2961–2966. doi:10.1002/cphc.201800250

Magnetization Blocking in FeDy Molecular Magnets: Ab Initio Calculations and EPR Spectroscopy
Vieru, V.; Ungur, L.; Cemortan, V.; Sukhanov, A.; Baniodeh, A.; Anson, C. E.; Powell, A. K.; Voronkova, V.; Chibotaru, L. F.
2018. Chemistry - a European journal, 24 (62), 16652–16661. doi:10.1002/chem.201803821

Photodynamics and Luminescence of Mono- and Tri-Nuclear Lanthanide Complexes in the Gas Phase and in Solution
Liedy, F.; Bäppler, F.; Waldt, E.; Nosenko, Y.; Imanbaew, D.; Bhunia, A.; Yadav, M.; Diller, R.; Kappes, M. M.; Roesky, P. W.; Schooss, D.; Riehn, C.
2018. ChemPhysChem, 19 (22), 3050–3060. doi:10.1002/cphc.201800599

Electronic Decoupling in C-Symmetrical Light-Responsive Tris(Azobenzene) Scaffolds: Self-Assembly and Multiphotochromism
Galanti, A.; Diez-Cabanes, V.; Santoro, J.; Valášek, M.; Minoia, A.; Mayor, M.; Cornil, J.; Samorì, P.
2018. Journal of the American Chemical Society, 140 (47), 16062–16070. doi:10.1021/jacs.8b06324

Kinetic Study of Ligand Binding and Conformational Changes in Inducible Nitric Oxide Synthase
Horn, M.; Nienhaus, K.; Nienhaus, G. U.
2018. The journal of physical chemistry <Washington, DC> / B, 122 (49), 11048–11057. doi:10.1021/acs.jpcb.8b05137

A tetranuclear CuDy coordination cluster as a Suzuki (C–C) coupling reaction promoter
Kumar, P.; Griffiths, K.; Anson, C. E.; Powell, A. K.; Kostakis, G. E.
2018. Dalton transactions, 47 (48), 17202–17205. doi:10.1039/c8dt04371j

Supramolecular Interaction Tuning of Spin‐Crossover in Pyrene/Fullerene (C) Tethered Fe‐2,6‐Di(pyrazol‐1‐yl)pyridine Complexes: Towards Switchable Molecular Devices
Kumar, K. S.; Šalitroš, I.; Suryadevara, N.; Moreno-Pineda, E.; Ruben, M.
2018. European journal of inorganic chemistry, 2018 (47), 5091–5097. doi:10.1002/ejic.201801109

Novel N-phosphorylated iminophosphoranes based on 9,10-dihydro-9-oxa-10- phosphaphenanthrene-10-oxide
Weinert, M.; Fuhr, O.; Döring, M.
2018. Arkivoc, 2018 (7), 278–293. doi:10.24820/ark.5550190.p010.704

Enantiopure Benzamidinate/Cyclooctatetraene Complexes of the Rare-Earth Elements: Synthesis, Structure, and Magnetism
He, M.; Chen, X.; Bodenstein, T.; Nyvang, A.; Schmidt, S. F. M.; Peng, Y.; Moreno-Pineda, E.; Ruben, M.; Fink, K.; Gamer, M. T.; Powell, A. K.; Roesky, P. W.
2018. Organometallics, 37 (21), 3708–3717. doi:10.1021/acs.organomet.8b00412

[Co@SnSb]: Ein endohedraler 12-Atom-Cluster mit einem nicht-zentrierten inneren Atom
Wilson, R. J.; Hastreiter, F.; Reiter, K.; Büschelberger, P.; Wolf, R.; Gschwind, R.; Weigend, F.; Dehnen, S.
2018. Angewandte Chemie, 130 (47), 15585–15589. doi:10.1002/ange.201807180

The Identity of “Ternary” A/Tl/Pb or K/Tl/Bi Solid Mixtures and Binary Zintl Anions Isolated From Their Solutions
Lichtenberger, N.; Franzke, Y. J.; Massa, W.; Weigend, F.; Dehnen, S.
2018. Chemistry - a European journal, 24 (46), 12022–12030. doi:10.1002/chem.201802382

The self-assembly and metal adatom coordination of a linear bis-tetrazole ligand on Ag(111)
Knecht, P.; Suryadevara, N.; Zhang, B.; Reichert, J.; Ruben, M.; Barth, J. V.; Klyatskaya, S.; Papageorgiou, A. C.
2018. Chemical communications, 54 (72), 10072–10075. doi:10.1039/C8CC04323J

Large Conductance Variations in a Mechanosensitive Single-Molecule Junction
Stefani, D.; Weiland, K. J.; Skripnik, M.; Hsu, C.; Perrin, M. L.; Mayor, M.; Pauly, F.; Van Der Zant, H. S. J.
2018. Nano letters, 18 (9), 5981–5988. doi:10.1021/acs.nanolett.8b02810

15-Copper(ii)-containing 36-tungsto-4-silicates(iv) [Cu₁₅O₂(OH)₁₀X(A-α-SiW₉O₃₄)₄]²⁵⁻ (X = Cl, Br): synthesis, structure, magnetic properties, and electrocatalytic CO₂ reduction
Bassil, B. S.; Haider, A.; Ibrahim, M.; Mougharbel, A. S.; Bhattacharya, S.; Christian, J. H.; Bindra, J. K.; Dalal, N. S.; Wang, M.; Zhang, G.; Keita, B.; Rutkowska, I. A.; Kulesza, P. J.; Kortz, U.
2018. Dalton transactions, 47 (35), 12439–12448. doi:10.1039/c8dt01896k

Bethe–Salpeter correlation energies of atoms and molecules
Holzer, C.; Gui, X.; Harding, M. E.; Kresse, G.; Helgaker, T.; Klopper, W.
2018. The journal of chemical physics, 149 (14), Art. Nr.: 144106. doi:10.1063/1.5047030

Element specific determination of the magnetic properties of two macrocyclic tetranuclear 3d-4f complexes with a Cu3Tb core by means of X-ray magnetic circular dichroism (XMCD)
Balinski, K.; Schneider, L.; Wöllermann, J.; Buling, A.; Joly, L.; Piamonteze, C.; Feltham, H. L. C.; Brooker, S. A.; Powell, A. K.; Delley, B. T.; Kuepper, K.
2018. Physical chemistry, chemical physics, 20 (33), 21286–21293. doi:10.1039/c7cp08689j

Observation of Cooperative Electronic Quantum Tunneling: Increasing Accessible Nuclear States in a Molecular Qudit
Moreno-Pineda, E.; Klyatskaya, S.; Du, P.; Damjanovic, M.; Taran, G.; Wernsdorfer, W.; Ruben, M.
2018. Inorganic chemistry, 57 (16), 9873–9879. doi:10.1021/acs.inorgchem.8b00823

Magnetic properties of transition metal dimers probed by inelastic neutron scattering
Ansbro, S.; Moreno-Pineda, E.; Yu, W.; Ollivier, J.; Mutka, H.; Ruben, M.; Chiesa, A.
2018. Dalton transactions, 47 (34), 11953–11959. doi:10.1039/c8dt02570c

On-surface structural and electronic properties of spontaneously formed Tb2Pc3 single molecule magnets
Hellerstedt, J.; Cahlík, A.; Švec, M.; De La Torre, B.; Moro-Lagares, M.; Chutora, T.; Papoušková, B.; Zoppellaro, G.; Mutombo, P.; Ruben, M.; Zbořil, R.; Jelinek, P.
2018. Nanoscale, 10 (33), 15553–15563. doi:10.1039/c8nr04215b

Series of Photoswitchable Azobenzene-Containing Metal–Organic Frameworks with Variable Adsorption Switching Effect
Wang, Z.; Müller, K.; Valášek, M.; Grosjean, S.; Bräse, S.; Wöll, C.; Mayor, M.; Heinke, L.
2018. The journal of physical chemistry <Washington, DC> / C, 122 (33), 19044–19050. doi:10.1021/acs.jpcc.8b05843

A highly flexible molecule: The peculiar case of ethynyl isothiocyanate HCCNCS
Sun, W.; Davis, R. L.; Thorwirth, S.; Harding, M. E.; Wijngaarden, J. van
2018. The journal of chemical physics, 149 (10), Article: 104304. doi:10.1063/1.5048411

Metallic nanoparticle contacts for high-yield, ambient-stable molecular-monolayer devices
Puebla-Hellmann, G.; Venkatesan, K.; Mayor, M.; Lörtscher, E.
2018. Nature <London>, 559 (7713), 232–235. doi:10.1038/s41586-018-0275-z

A Phenyl-Ethynyl-Macrocycle: A Model Compound for “Geländer” Oligomers Comprising Reactive Conjugated Banisters
Bannwart, L. M.; Jundt, L.; Müntener, T.; Neuburger, M.; Häussinger, D.; Mayor, M.
2018. European journal of organic chemistry, 2018 (26), 3391–3402. doi:10.1002/ejoc.201800586

Mononuclear and dinuclear heteroleptic Cu(I) complexes based on pyridyl-triazole and DPEPhos with long-lived excited-state lifetimes
Bizzarri, C.; Arndt, A. P.; Kohaut, S.; Fink, K.; Nieger, M.
2018. Journal of organometallic chemistry, 871, 140–149. doi:10.1016/j.jorganchem.2018.07.013

The Effect of Modifying the Macrocyclic Ring Size on Zn3Ln (Ln = Dy, Er, and Yb) Single-Molecule Magnet Behavior
Feltham, H. L. C.; Clérac, R.; Peng, Y.; Moreno-Pineda, E.; Powell, A. K.; Brooker, S.
2018. Zeitschrift für anorganische und allgemeine Chemie, 644 (14), 775–779. doi:10.1002/zaac.201800155

[HgTe(Te)]: A Heavy Metal Porphyrinoid Embedded in a Lamellar Structure
Donsbach, C.; Reiter, K.; Sundholm, D.; Weigend, F.; Dehnen, S.
2018. Angewandte Chemie / International edition, 57 (28), 8770–8774. doi:10.1002/anie.201803233

Polymorphism and metal-induced structural transformation in 5,5′-bis(4-pyridyl)(2,2′-bispyrimidine) adlayers on Au(111)
Hötger, D.; Carro, P.; Gutzler, R.; Wurster, B.; Chandrasekar, R.; Klyatskaya, S. V.; Ruben, M.; Salvarezza, R. C.; Kern, K.; Grumelli, D.
2018. Physical chemistry, chemical physics, 20 (23), 15960–15969. doi:10.1039/c7cp07746g

Butterfly M2 IIIEr2 (MIII = Fe and Al) SMMs: Synthesis, Characterization, and Magnetic Properties
Peng, Y.; Mereacre, V.; Anson, C. E.; Powell, A. K.
2018. ACS omega, 3 (6), 6360–6368. doi:10.1021/acsomega.8b00550

Calculation of Magnetic Shielding Constants with meta-GGA Functionals Employing the Multipole-Accelerated Resolution of the Identity: Implementation and Assessment of Accuracy and Efficiency
Reiter, K.; Mack, F.; Weigend, F.
2018. Journal of chemical theory and computation, 14 (1), 191–197. doi:10.1021/acs.jctc.7b01115

Porous supramolecular materials: the importance of emptiness
Biedermann, F.; De Cola, L.
2018. Supramolecular chemistry, 30 (3), 166–168. doi:10.1080/10610278.2017.1412015

[Au(PPh)S(L2)] (L2 = 3,4-bis(diphenylphosphino)-2,5-bis(trimethylsilyloxy)furan): an Au unit protected by modified maleic anhydride phosphine ligands
Yu, W.; Wang, Y.; Fuhr, O.; Fenske, D.; Dehnen, S.
2018. Dalton transactions, 47 (4), 1032–1035. doi:10.1039/C7DT04263A

Selective Encapsulation and Enhancement of the Emission Properties of a Luminescent Cu(I) Complex in Mesoporous Silica
Donato, L.; Atoini, Y.; Prasetyanto, E. A.; Chen, P.; Rosticher, C.; Bizzarri, C.; Rissanen, K.; De Cola, L.
2018. Helvetica chimica acta, 101 (2), Art. Nr.: e1700273. doi:10.1002/hlca.201700273

Enhanced etching of tin-doped indium oxide due to surface modification by hydrogen ion injection
Li, H.; Karahashi, K.; Friederich, P.; Fink, K.; Fukasawa, M.; Hirata, A.; Nagahata, K.; Tatsumi, T.; Wenzel, W.; Hamaguchi, S.
2018. Japanese journal of applied physics, 57 (6), Art.Nr. 06JC05. doi:10.7567/JJAP.57.06JC05

High-Accuracy Extrapolated Ab Initio Thermochemistry of the NCN Radical
Harding, M. E.; Olzmann, M.
2018. Chemical physics letters, 706, 613–616. doi:10.1016/j.cplett.2018.06.047

Measurement of Magnetic Exchange in Asymmetric Lanthanide Dimetallics: Toward a Transferable Theoretical Framework
Giansiracusa, M. J.; Moreno-Pineda, E.; Hussain, R.; Marx, R.; Martínez Prada, M.; Neugebauer, P.; Al-Badran, S.; Collison, D.; Tuna, F.; Slageren, J. van; Carretta, S.; Guidi, T.; McInnes, E. J. L.; Winpenny, R. E. P.; Chilton, N. F.
2018. Journal of the American Chemical Society, 140 (7), 2504–2513. doi:10.1021/jacs.7b10714

Ligand Effects on the Reactivity of [CoX] (X = CN, F, Cl, Br, O, OH) Towards CO₂: Gas-Phase Generation of the Elusive Cyanoformate by [Co(CN)] and [Fe(CN)]
Firouzbakht, M.; Rijs, N. J.; Schlangen, M.; Kaupp, M.; Schwarz, H.
2018. Topics in catalysis, 61 (7-8), 575–584. doi:10.1007/s11244-018-0903-8

Continuous-time random-walk approach to supercooled liquids: Self-part of the van Hove function and related quantities
Helfferich, J.; Brisch, J.; Meyer, H.; Benzerara, O.; Ziebert, F.; Farago, J.; Baschnagel, J.
2018. The European physical journal / E, 41 (6), Art.Nr. 71. doi:10.1140/epje/i2018-11680-1

Efficient implementation of one- and two-component analytical energy gradients in exact two-component theory
Franzke, Y. J.; Middendorf, N.; Weigend, F.
2018. The journal of chemical physics, 148 (10), Art. Nr.: 104110. doi:10.1063/1.5022153

Phosphine-assisted C–H bond activation in Schiff bases and formation of novel organo cobalt complexes bearing Schiff base ligands
Zhang, H.; Xing, J.; Dong, Y.; Xie, S.; Ren, S.; Qi, X.; Sun, H.; Li, X.; Fuhr, O.; Fenske, D.
2018. New journal of chemistry, 42 (6), 4646–4652. doi:10.1039/C7NJ03480F

Chemical Sensors Based on Cucurbit[n]uril Macrocycles
Sinn, S.; Biedermann, F.
2018. Israel journal of chemistry, 58 (3-4), 357–412. doi:10.1002/ijch.201700118

Bimetallic d10-Metal Complexes of a Bipyridine Substituted N-Heterocyclic Carbene
Kaub, C.; Lebedkin, S.; Li, A.; Kruppa, S. V.; Strebert, P. H.; Kappes, M. M.; Riehn, C.; Roesky, P. W.
2018. Chemistry - a European journal, 24 (23), 6094–6104. doi:10.1002/chem.201705757

Coupling Influences SMM Properties for Pure 4 f Systems
Zhang, X.; Liu, S.; Vieru, V.; Xu, N.; Gao, C.; Wang, B.-W.; Shi, W.; Chibotaru, L. F.; Gao, S.; Cheng, P.; Powell, A. K.
2018. Chemistry - a European journal, 24 (23), 6079–6086. doi:10.1002/chem.201705350

Machine learning of correlated dihedral potentials for atomistic molecular force fields
Friederich, P.; Konrad, M.; Strunk, T.; Wenzel, W.
2018. Scientific reports, 8 (1), Art.Nr. 2559. doi:10.1038/s41598-018-21070-0

Radical-lanthanide ferromagnetic interaction in a bis-phthalocyaninato complex
Komijani, D.; Ghirri, A.; Bonizzoni, C.; Klyatskaya, S.; Moreno-Pineda, E.; Ruben, M.; Soncini, A.; Affronte, M.; Hill, S.
2018. Physical review materials, 2 (2), Art.Nr. 024405. doi:10.1103/PhysRevMaterials.2.024405

Opposite Surface and Bulk Solvatochromic Effects in a Molecular Spin-Crossover Compound Revealed by Ambient Pressure X-ray Absorption Spectroscopy
Borgatti, F.; Torelli, P.; Brucale, M.; Gentili, D.; Panaccione, G.; Castan Guerrero, C.; Schäfer, B.; Ruben, M.; Cavallini, M.
2018. Langmuir, 34 (12), 3604–3609. doi:10.1021/acs.langmuir.8b00028

Functionalized Graphdiyne Nanowires : On-Surface Synthesis and Assessment of Band Structure, Flexibility, and Information Storage Potential
Klappenberger, F.; Hellwig, R.; Du, P.; Paintner, T.; Uphoff, M.; Zhang, L.; Lin, T.; Moghanaki, B. A.; Paszkiewicz, M.; Vobornik, I.; Fujii, J.; Fuhr, O.; Zhang, Y.-Q.; Allegretti, F.; Ruben, M.; Barth, J. V.
2018. Small, 14 (14), Art.Nr. 1704321. doi:10.1002/smll.201704321

Engineering On-Surface Spin Crossover : Spin-State Switching in a Self-Assembled Film of Vacuum-Sublimable Functional Molecule
Kumar, K. S.; Studniarek, M.; Heinrich, B.; Arabski, J.; Schmerber, G.; Bowen, M.; Boukari, S.; Beaurepaire, E.; Dreiser, J.; Ruben, M.
2018. Advanced materials, 30 (11), Art.Nr. 1705416. doi:10.1002/adma.201705416

Coordination ability of amino acid hydrazide ligands and their influence on magnetic properties in copper(II) coordination polymers
Androš Dubraja, L.; Jerić, I.; Puškarić, A.; Bronić, J.; Moreno-Pineda, E.
2018. CrystEngComm, 20 (17), 2396–2403. doi:10.1039/c8ce00210j

Chiral macrocyclic terpyridine complexes
Brandl, T.; Hoffmann, V.; Pannwitz, A.; Häussinger, D.; Neuburger, M.; Fuhr, O.; Bernhard, S.; Wenger, O. S.; Mayor, M.
2018. Chemical science, 9 (15), 3837–3843. doi:10.1039/c7sc05285e

Gold Nanoparticles Stabilized by Single Tripodal Ligands
Peters, E. H.; Lehmann, M.; Mayor, M.
2018. Particle & particle systems characterization, 35 (4), Art.Nr. 1800015. doi:10.1002/ppsc.201800015

Gas-Phase Ion Chemistry of Metalloporphyrin Anions with Molecular Oxygen: Probing the Influence of the Oxidation and Spin State of the Central Transition Metal by Experiment and Theory
Archipov, T.; Kirkland, J. K.; Vogiatzis, K. D.; Steiner, A.; Niedner-Schatteburg, G.; Weis, P.; Fink, K.; Hampe, O.; Kappes, M. M.
2018. The journal of physical chemistry <Washington, DC> / A, 122 (17), 4357–4365. doi:10.1021/acs.jpca.8b01715

Multicomponent reactions provide key molecules for secret communication
Boukis, A. C.; Reiter, K.; Froelich, M.; Hofheinz, D.; Meier, M. A. R.
2018. Nature Communications, 9, Article no 1439. doi:10.1038/s41467-018-03784-x

Voltage-Driven Conformational Switching with Distinct Raman Signature in a Single-Molecule Junction
Bi, H.; Palma, C. A.; Gong, Y.; Hasch, P.; Elbing, M.; Mayor, M.; Reichert, J.; Barth, J. V.
2018. Journal of the American Chemical Society, 140 (14), 4835–4840. doi:10.1021/jacs.7b12818

Photodissociation of Free Metalloporphyrin Dimer Multianions
Jäger, P.; Brendle, K.; Schneider, E.; Kohaut, S.; Armbruster, M. K.; Fink, K.; Weis, P.; Kappes, M. M.
2018. The journal of physical chemistry <Washington, DC> / A, 122 (11), 2974–2982. doi:10.1021/acs.jpca.8b00641

Isotope-selective high-order interferometry with large organic molecules in free fall
Rodewald, J.; Dörre, N.; Grimaldi, A.; Geyer, P.; Felix, L.; Mayor, M.; Shayeghi, A.; Arndt, M.
2018. New journal of physics, 20 (3), Art.Nr.: 033016. doi:10.1088/1367-2630/aaade2

Influence of lanthanides on spin-relaxation and spin-structure in a family of Fe₇Ln₄ single molecule magnets
Prodius, D.; Mereacre, V.; Singh, P.; Lan, Y.; Mameri, S.; Johnson, D. D.; Wernsdorfer, W.; Anson, C. E.; Powell, A. K.
2018. Journal of materials chemistry / C, 6 (11), 2862–2872. doi:10.1039/c8tc00322j

Application of spectroelectrochemistry in elucidation of electrochemical mechanism of azoquinoline dye 2-methyl-5-[(E)-phenyldiazenyl]quinolin-8-ol
Sokolová, R.; Ramešová, Š.; Degano, I.; Hromadová, M.; Szala, M.; Wantulok, J.; Nycz, J. E.; Valášek, M.
2018. Electrochimica acta, 270, 509–516. doi:10.1016/j.electacta.2018.03.096

Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn₄Ln₂ coordination clusters
Akhtar, M. N.; Lan, Y.; Aldamen, M. A.; Zheng, Y.-Z.; Anson, C. E.; Powell, A. K.
2018. Dalton transactions, 47 (10), 3485–3495. doi:10.1039/c7dt04304j

Molecular spin qudits for quantum algorithms
Moreno-Pineda, E.; Godfrin, C.; Balestro, F.; Wernsdorfer, W.; Ruben, M.
2018. Chemical Society reviews, 47 (2), 501–513. doi:10.1039/C5CS00933B

Vibronic Coupling Analysis of the Ligand-Centered Phosphorescence of Gas-Phase Gd(III) and Lu(III) 9-Oxophenalen-1-one Complexes
Chmela, J.; Greisch, J.-F.; Harding, M. E.; Klopper, W.; Kappes, M. M.; Schooss, D.
2018. The journal of physical chemistry <Washington, DC> / A, 122 (9), 2461–2467. doi:10.1021/acs.jpca.8b00006

Optimized auxiliary basis sets for density fitted post-Hartree-Fock calculations of lanthanide containing molecules
Chmela, J.; Harding, M. E.
2018. Molecular physics, 116 (12), 1523–1538. doi:10.1080/00268976.2018.1433336

(Ge₂P₂) : A binary analogue of P₄ as a precursor to the ternary cluster anion [Cd₃(Ge₃P)₃]
Mitzinger, S.; Bandemehr, J.; Reiter, K.; McIndoe, J. S.; Xie, X.; Weigend, F.; Corrigan, J. F.; Dehnen, S.
2018. Chemical communications, 54 (12), 1421–1424. doi:10.1039/c7cc08348c

Collision Induced Dissociation of Benzylpyridinium-Substituted Porphyrins : Towards a Thermometer Scale for Multiply Charged Ions?
Brendle, K.; Kordel, M.; Schneider, E.; Wagner, D.; Bräse, S.; Weis, P.; Kappes, M. M.
2018. Journal of the American Society for Mass Spectrometry, 29 (2), 382–392. doi:10.1007/s13361-017-1835-4

Full quantum treatment of charge dynamics in amorphous molecular semiconductors
Vries, X. de; Friederich, P.; Wenzel, W.; Coehoorn, R.; Bobbert, P. A.
2018. Physical review / B, 97 (7), Art.Nr. 075203. doi:10.1103/PhysRevB.97.075203

Templated Formation of Luminescent Virus-like Particles by Tailor-Made Pt(II) Amphiphiles
Sinn, S.; Yang, L.; Biedermann, F.; Wang, D.; Kübel, C.; Cornelissen, J. J. L. M.; Cola, L. D.
2018. Journal of the American Chemical Society, 140 (6), 2355–2362. doi:10.1021/jacs.7b12447

Cryo IR Spectroscopy of N₂ and H₂ on Ru₈⁺ : The Effect of N₂ on the H-Migration
Dillinger, S.; Klein, M. P.; Steiner, A.; McDonald, D. C.; Duncan, M. A.; Kappes, M. M.; Niedner-Schatteburg, G.
2018. The journal of physical chemistry letters, 9 (4), 914–918. doi:10.1021/acs.jpclett.8b00093

Complex supramolecular interfacial tessellation through convergent multi-step reaction of a dissymmetric simple organic precursor
Zhang, Y.-Q.; Paszkiewicz, M.; Du, P.; Zhang, L.; Lin, T.; Chen, Z.; Klyatskaya, S.; Ruben, M.; Seitsonen, A. P.; Barth, J. V.; Klappenberger, F.
2018. Nature chemistry, 10 (3), 296–304. doi:10.1038/nchem.2924

Experimental characterization and simulation of amino acid and peptide interactions with inorganic materials
Schwaminger, S.; Blank-Shim, S. A.; Borkowska-Panek, M.; Anand, P.; Fraga-García, P.; Fink, K.; Wenzel, W.; Berensmeier, S.
2018. Engineering in life sciences, 18 (2), 84–100. doi:10.1002/elsc.201700019

Built-In Potentials Induced by Molecular Order in Amorphous Organic Thin Films
Friederich, P.; Rodin, V.; Wrochem, F. von; Wenzel, W.
2018. ACS applied materials & interfaces, 10 (2), 1881–1887. doi:10.1021/acsami.7b11762

Synthesis and Characterization of a Heterometallic Extended Architecture Based on a Manganese(II)-Substituted Sandwich-Type Polyoxotungstate
Ibrahim, M.; Moreno-Pineda, E.; Bergfeldt, T.; Anson, C.; Powell, A.
2018. Materials, 11 (1), 155. doi:10.3390/ma11010155

The multi-state energy landscape of the SAM-I riboswitch : A single-molecule Förster resonance energy transfer spectroscopy study
Manz, C.; Kobitski, A. Y.; Samanta, A.; Jäschke, A.; Nienhaus, G. U.
2018. The journal of chemical physics, 148 (12), Art.Nr. 123324. doi:10.1063/1.5003783

The Furan Microsolvation Blind Challenge for Quantum Chemical Methods : First steps
Gottschalk, H. C.; Poblotzki, A.; Suhm, M. A.; Al-Mogren, M. M.; Antony, J.; Auer, A. A.; Baptista, L.; Benoit, D. M.; Bistoni, G.; Bohle, F.; Dahmani, R.; Firaha, D.; Grimme, S.; Hansen, A.; Harding, M. E.; Hochlaf, M.; Holzer, C.; Jansen, G.; Klopper, W.; Kopp, W. A.; Kröger, L. C.; Leonhard, K.; Mouhib, H.; Neese, F.; Pereira, M. N.; Ulusoy, I. S.; Wuttke, A.; Mata, R. A.
2018. The journal of chemical physics, 148 (1), Art.Nr.: 014301. doi:10.1063/1.5009011

Probing magnetic coupling between LnPc₂ (Ln = Tb, Er) molecules and the graphene/Ni (111) substrate with and without Au-intercalation : Role of the dipolar field
Corradini, V.; Candini, A.; Klar, D.; Biagi, R.; Renzi, V. D.; Lodi Rizzini, A.; Cavani, N.; Pennino, U. D.; Klyatskaya, S. V.; Ruben, M.; Velez-Fort, E.; Kummer, K.; Brookes, N. B.; Gargiani, P.; Wende, H.; Affronte, M.
2018. Nanoscale, 10 (1), 277–283. doi:10.1039/c7nr06610d

1D and 3D Polymeric Manganese(II) Thiolato Complexes: Synthesis, Structure and Properties of [Mn4(SPh)8] and [Mn(SMes)2]
Eichhöfer, A.; Lebedkin, S.
2018. Inorganic chemistry, 57 (2), 602–608. doi:10.1021/acs.inorgchem.7b02411

Synthesis of a new phosphorylated ethylamine, thereon based phosphonamidates and their application as flame retardants
Garth, K.; Klinkowski, C.; Fuhr, O.; Döring, M.
2017. Heteroatom chemistry, 28 (6), Article: e21407. doi:10.1002/hc.21407

Synthesis and reactivity of iron hydride with [P, Se]-chelate ligand
Zhou, H.; Luan, H.; Zheng, T.; Qi, X.; Sun, H.; Li, X.; Fuhr, O.; Fenske, D.
2017. Journal of organometallic chemistry, 853, 107–112. doi:10.1016/j.jorganchem.2017.10.037

Mario Ruben
Ruben, M.
2017. Angewandte Chemie / International edition, 57 (11), 2850. doi:10.1002/anie.201711461

Vinyl/Phenyl Exchange Reaction within Vinyl Nickel Complexes Bearing Chelate [P, S]-Ligands
Xue, B.; Sun, H.; Ren, S.; Li, X.; Fuhr, O.
2017. Organometallics, 36 (21), 4246–4255. doi:10.1021/acs.organomet.7b00671

Synthesis, structure and electrochemistry of the dinickel(II)-containing 30-tungsto-4-phosphate [Ni₂Na₂(H₂O)2(P₂WO)₂]18-
Kortz, U.; Mbome, I.-M.; Amoassi, M. B.; Avo Bile, B.; Oliveira, P. de; S. Bassil, B.; Ibrahim, M.; S. Mougharbel, A.; Lin, Z.
2017. Current Inorganic Chemistry, 7 (1). doi:10.2174/1877944107666171106162812

Characterization of the light induced excited spin state of a heterometallic FePt₂ complex by high-field Mössbauer spectroscopy
Bauer, T.; Omlor, A.; Auerbach, H.; Jenni, K.; Schäfer, B.; Diller, R.; Ruben, M.; Schünemann, V.
2017. Hyperfine interactions, 238 (1), 98. doi:10.1007/s10751-017-1464-0

A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties
Polgar, A. M.; Weigend, F.; Zhang, A.; Stillman, M. J.; Corrigan, J. F.
2017. Journal of the American Chemical Society, 139 (40), 14045–14048. doi:10.1021/jacs.7b09025

Between Localization and Delocalization: Ru(cod) Units in the Zintl Clusters [Bi{Ru(cod)}] and [TlBi{Ru(cod)}]
Lichtenberger, N.; Spang, N.; Eichhöfer, A.; Dehnen, S.
2017. Angewandte Chemie / International edition, 56 (43), 13253–13258. doi:10.1002/anie.201707632

Adatom Coadsorption with Three-Dimensional Cyclophanes on Ag(111)
Scheil, K.; Lorente, N.; Bocquet, M.-L.; Hess, P. C.; Mayor, M.; Berndt, R.
2017. The journal of physical chemistry <Washington, DC> / C, 121 (45), 25303–25308. doi:10.1021/acs.jpcc.7b08953

Anti-inflammatory effect of active nanofibrous polymeric membrane bearing nanocontainers of atorvastatin complexes
Schwinté, P.; Mariotte, A.; Anand, P.; Keller, L.; Idoux-Gillet, Y.; Huck, O.; Fioretti, F.; Tenenbaum, H.; Georgel, P.; Wenzel, W.; Irusta, S.; Benkirane-Jessel, N.
2017. Nanomedicine, 12 (23), 2651–2674. doi:10.2217/nnm-2017-0198

Terminal Alkyne Coupling on a Corrugated Noble Metal Surface: From Controlled Precursor Alignment to Selective Reactions
Lin, T.; Zhang, L.; Björk, J.; Chen, Z.; Ruben, M.; Barth, J. V.; Klappenberger, F.
2017. Chemistry - a European journal, 23 (62), 15588–15593. doi:10.1002/chem.201701735

Aggregation-Induced Electrochemiluminescence of Platinum(II) Complexes
Carrara, S.; Aliprandi, A.; Hogan, C. F.; Cola, L. D.
2017. Journal of the American Chemical Society, 139 (41), 14605–14610. doi:10.1021/jacs.7b07710

SMM behaviour and magnetocaloric effect in heterometallic 3d–4f coordination clusters with high azide : metal ratios
Schmidt, S. F. M.; Merkel, M. P.; Kostakis, G. E.; Buth, G.; Anson, C. E.; Powell, A. K.
2017. Dalton transactions. doi:10.1039/C7DT03149A

Stepwise Investigation of the Influences of Steric Groups versus Counterions To Target Cu/Dy Complexes
Kühne, I. A.; Griffiths, K.; Hutchings, A.-J.; Townrow, O. P. E.; Eichhöfer, A.; Anson, C. E.; Kostakis, G. E.; Powell, A. K.
2017. Crystal growth & design, 17 (10), 5178–5190. doi:10.1021/acs.cgd.7b00648

Molecular origin of the anisotropic dye orientation in emissive layers of organic light emitting diodes
Friederich, P.; Coehoorn, R.; Wenzel, W.
2017. Chemistry of materials, 29 (21), 9528–9535. doi:10.1021/acs.chemmater.7b03742

Rational In Silico Design of an Organic Semiconductor with Improved Electron Mobility
Friederich, P.; Gómez, V.; Sprau, C.; Meded, V.; Strunk, T.; Jenne, M.; Magri, A.; Symalla, F.; Colsmann, A.; Ruben, M.; Wenzel, W.
2017. Advanced materials, 29 (43), Art.Nr. 1703505. doi:10.1002/adma.201703505

Binding patterns of homo-peptides on bare magnetic nanoparticles: insights into environmental dependence
Blank-Shim, S. A.; Schwaminger, S. P.; Borkowska-Panek, M.; Anand, P.; Yamin, P.; Fraga-García, P.; Fink, K.; Wenzel, W.; Berensmeier, S.
2017. Scientific reports, 7 (1), 14047. doi:10.1038/s41598-017-13928-6

Structural origins of the cohesive energy in metal-terpyridine oligomer thin-films
Meded, V.; Knorr, N.; Neumann, T.; Nelles, G.; Wenzel, W.; Wrochem, F. von
2017. Physical chemistry, chemical physics, 19 (41), 27952–27959. doi:10.1039/C7CP05488B

Sequential nested assembly at the liquid/solid interface
Karamzadeh, B.; Eaton, T.; Torres, D. M.; Cebula, I.; Mayor, M.; Buck, M.
2017. Faraday discussions, 204, 173–190. doi:10.1039/C7FD00115K

Synthesis of trinorbornane
Bizzini, L. D.; Müntener, T.; Häussinger, D.; Neuburger, M.; Mayor, M. A.
2017. Chemical communications, 83, 11399–11402. doi:10.1039/C7CC06273G

Synthesis of a Silyl Cobalt Hydride and Its Catalytic Performance in Kumada Coupling Reactions
Shilu Xu; Xiaoyan Li; Benjing Xue; Hongjian Sun; Olaf Fuhr; Dieter Fenske; Peng Zhang
2017. Chemistry & industry, 12 (11), 1234–1239. doi:10.1002/asia.201700144

Spatial and Lateral Control of Functionality by Rigid Molecular Platforms
Valášek, M.; Mayor, M.
2017. Chemistry - a European journal, 23 (55), 13538–13548. doi:10.1002/chem.201703349

Decoupled Associative and Dissociative Processes in Strong yet Highly Dynamic Host-Guest Complexes
Appel, E. A.; Biedermann, F.; Hoogland, D.; Barrio, J. del; Driscoll, M. D.; Hay, S.; Wales, D. J.; Scherman, O. A.
2017. Journal of the American Chemical Society, 139 (37), 12985–12993. doi:10.1021/jacs.7b04821

Flyscan opportunities in medicine : The case of quantum rattle based on gold quantum dots
Esteve, E.; Reguer, S.; Boissiere, C.; Chaneac, C.; Lugo, G.; Jouanneau, C.; Mocuta, C.; Thiaudiere, D.; Leclercq, N.; Leyh, B.; Greisch, J.-F.; Berthault, J.; Daudon, M.; Ronco, P.; Bazin, D.
2017. Journal of synchrotron radiation, 24 (5), 991–999. doi:10.1107/S1600577517009572

Defined tetranuclear coinage metal chains
Kaub, C.; Lebedkin, S. F.; Bestgen, S.; Köppe, R.; Kappes, M. M.; Roesky, P. W.
2017. Chemical communications, 53 (69), 9578–9581. doi:10.1039/c7cc04705c

Synthesis and Optical Properties of [CuE(SnPh)(PPhEt)] (E = S, Se, Te) Cluster Molecules
Eichhöfer, A.; Kühn, M.; Lebedkin, S.; Kehry, M.; Kappes, M. M.; Weigend, F.
2017. Inorganic chemistry, 56 (15), 9330–9336. doi:10.1021/acs.inorgchem.7b01495

Segmented Contracted Error-Consistent Basis Sets of Double- and Triple-ζ Valence Quality for One- and Two-Component Relativistic All-Electron Calculations
Pollak, P.; Weigend, F.
2017. Journal of chemical theory and computation, 13 (8), 3696–3705. doi:10.1021/acs.jctc.7b00593

Spacer type mediated tunable spin crossover (SCO) characteristics of pyrene decorated 2,6-bis(pyrazol-1-yl)pyridine (bpp) based Fe(II) molecular spintronic modules
Kumar, K. S.; Šalitroš, I.; Moreno-Pineda, E.; Ruben, M.
2017. Dalton transactions, 46 (30), 9765–9768. doi:10.1039/c7dt02219k

Tailoring the volatility and stability of oligopeptides
Schätti, J.; Sezer, U.; Pedalino, S.; Cotter, J. P.; Arndt, M.; Mayor, M.; Köhler, V.
2017. Journal of mass spectrometry, 52 (8), 550–556. doi:10.1002/jms.3959

Assembly of [2]Rotaxanes in Water
Aeschi, Y.; Drayss-Orth, S.; Valášek, M.; Raps, F.; Häussinger, D.; Mayor, M.
2017. European journal of organic chemistry, 2017 (28), 4091–4103. doi:10.1002/ejoc.201700640

1D and 2D Graphdiynes : Recent Advances on the Synthesis at Interfaces and Potential Nanotechnological Applications
Chen, Z.; Molina-Jirón, C.; Klyatskaya, S. V.; Klappenberger, F.; Ruben, M.
2017. Annalen der Physik, 529 (11), Art.Nr. 1700056. doi:10.1002/andp.201700056

Influence of the charge of the complex unit on the SCO properties in pyrazolyl-pyridinyl-benzimidazole based Fe(II) complexes
Rajnák, C.; Schäfer, B.; Šalitroš, I.; Fuhr, O.; Ruben, M.; Boča, R.
2017. Polyhedron, 135, 189–194. doi:10.1016/j.poly.2017.06.035

Nuclear Spin Isomers : Engineering a Et₄N[DyPc₂] Spin Qudit
Moreno-Pineda, E.; Damjanović, M.; Fuhr, O.; Wernsdorfer, W.; Ruben, M.
2017. Angewandte Chemie / International edition, 56 (33), 9915–9919. doi:10.1002/anie.201706181

Calculations of current densities and aromatic pathways in cyclic porphyrin and isoporphyrin arrays
Franzke, Y. J.; Sundholm, D.; Weigendb, F.
2017. Physical chemistry, chemical physics, 19 (20), 12794–12803. doi:10.1039/c7cp00624a

Photoisomerization of Bis(tridentate) 2,6-Bis(1H-pyrazol-1-yl)pyridine Ligands Exhibiting a Multi-anthracene Skeleton
Šalitroš, I.; Fuhr, O.; Gál, M.; Valášek, M.; Ruben, M.
2017. Chemistry - a European journal, 23 (42), 10100–10109. doi:10.1002/chem.201700825

An NHC-phosphinidenyl as a synthon for new group 13/15 compounds
Lemp, O.; Balmer, M.; Reiter, K.; Weigend, F.; Von Hänisch, C.
2017. Chemical communications, 53 (54), 7620–7623. doi:10.1039/c7cc04422d

Systematic studies of hexanuclear M ₄Ln₂ complexes (M = Fe, Ga; Ln = Er, Ho) : Structures, magnetic properties and SMM behavior
Chen, S.; Mereacre, V.; Kostakis, G. E.; Anson, C. E.; Powell, A. K.
2017. Inorganic chemistry frontiers, 4 (6), 927–934. doi:10.1039/c7qi00091j

Pyrazolo[4,3-h]quinoline Ligand-Based Iridium(III) Complexes for Electrochemiluminescence
Hsu, C.-W.; Longhi, E.; Sinn, S.; Hawes, C. S.; Young, D. C.; Kruger, P. E.; Cola, L.
2017. Chemistry, 12 (13), 1649–1658. doi:10.1002/asia.201700556

Long-pulse laser launch and ionization of tailored large neutral silver nanoparticles with atomic mass assignment
Gallego, A.; Sezer, U.; Arndt, M.; Mayor, M.
2017. Nanoscale, 9 (26), 9175–9180. doi:10.1039/c7nr03297h

A Molecular Turnstile as an E-Field-Triggered Single-Molecule Switch: Concept and Synthesis
Le Pleux, L.; Kapatsina, E.; Hildesheim, J.; Häussinger, D.; Mayor, M.
2017. European journal of organic chemistry, 2017 (22), 3165–3178. doi:10.1002/ejoc.201700318

One-Dimensionally Disordered Chiral Sorting by Racemic Tiling in a Surface-Confined Supramolecular Assembly of Achiral Tectons
Zhang, Y.-Q.; Lin, T.; Cirera, B.; Hellwig, R.; Palma, C.-A.; Chen, Z.; Ruben, M.; Barth, J. V.; Klappenberger, F.
2017. Angewandte Chemie / International edition, 56 (27), 7797–7802. doi:10.1002/anie.201702771

Molecular Graph Paper
Lindner, M.; Valášek, M.; Mayor, M.; Frauhammer, T.; Wulfhekel, W.; Gerhard, L.
2017. Angewandte Chemie / International edition, 56 (28), 8290–8294. doi:10.1002/anie.201703586

Field-Induced Co(II) Single-Ion Magnets with mer-Directing Ligands but Ambiguous Coordination Geometry
Peng, Y.; Mereacre, V.; Anson, C. E.; Zhang, Y.; Bodenstein, T.; Fink, K.; Powell, A. K.
2017. Inorganic chemistry, 56 (11), 6056–6066. doi:10.1021/acs.inorgchem.6b02743

Search for Electron Delocalization from [Fe(CN)₆]³- to the Dication of Viologen in (DNP)₃[Fe(CN)₆]₂·10H₂O
Abouelwafa, A. S.; Hauser, A.; Mereacre, V.; Lan, Y.; Long, G. J.; Grandjean, F.; Buth, G.; Anson, C. E.; Powell, A. K.
2017. Inorganic chemistry, 56 (11), 6477–6488. doi:10.1021/acs.inorgchem.7b00540

Size Matters: Influence of Gold-to-Ligand Ratio and Sulfur-Sulfur Distance of Linear Thioether Heptamers on the Size of Gold Nanoparticles
Lehmann, M.; Peters, E. H.; Mayor, M.
2017. Helvetica chimica acta, 100 (4), Art. Nr.: e1600395. doi:10.1002/hlca.201600395

Bis(6-methylene-2,2’-bipyridine)phenylphosphine : A Flexible Ligand for the Construction of Trinuclear Coinage-Metal Complexes
Schäfer, S.; Gamer, M. T.; Lebedkin, S.; Weigend, F.; Kappes, M. M.; Roesky, P. W.
2017. Chemistry - a European journal, 23 (50), 12198–12209. doi:10.1002/chem.201701091

Pulses of Ca2+ coordinate actin assembly and exocytosis for stepwise cell extension
Takeshita, N.; Evangelinos, M.; Zhou, L.; Serizawa, T.; Somera-Fajardo, R. A.; Lu, L.; Takaya, N.; Nienhaus, G. U.; Fischer, R.
2017. Proceedings of the National Academy of Sciences of the United States of America, 114 (22), 5701–5706. doi:10.1073/pnas.1700204114

Metal Complexes of a Redox-Active [1]Phosphaferrocenophane : Structures, Electrochemistry and Redox-Induced Catalysis
Feyrer, A.; Armbruster, M. K.; Fink, K.; Breher, F.
2017. Chemistry - a European journal, 23 (31), 7402–7408. doi:10.1002/chem.201783162

An alternative method to access diverse N,N′-diquaternised-3,3′-biquinoxalinium “biquinoxen” dications
Leblanc, N.; Sproules, S.; Powell, A. K.
2017. New journal of chemistry, 41 (8), 2949–2954. doi:10.1039/C7NJ00531H

Photo-assisted water oxidation by high-nuclearity cobalt-oxo cores: tracing the catalyst fate during oxygen evolution turnover
Natali, M.; Bazzan, I.; Goberna-Ferrón, S.; Al-Oweini, R.; Ibrahim, M.; Bassil, B. S.; Dau, H.; Scandola, F.; Galán-Mascarós, J. R.; Kortz, U.; Sartorel, A.; Zaharieva, I.; Bonchio, M.
2017. Green chemistry, 19 (10), 2416–2426. doi:10.1039/C7GC00052A

Synthesis and Structure of Low-valent η⁴-Cinnamaldehyde Cobalt Complexes
Geng, Y.; Chen, J.; Zhao, H.; Sun, H.; Xue, B.; Li, X.; Fuhr, O.; Fenske, D.
2017. Zeitschrift für anorganische und allgemeine Chemie, 643, 712–716. doi:10.1002/zaac.201700073

Glucose-Modified Silicon Nanoparticles for Cellular Imaging
Hsu, C.-W.; Septiadi, D.; Lai, C.-H.; Chen, P.; Seeberger, P. H.; De Cola, L.
2017. ChemPlusChem, 82 (4), 660–667. doi:10.1002/cplu.201700054

Microwave-Mediated Synthesis of Bulky Lanthanide Porphyrin–Phthalocyanine Triple-Deckers: Electrochemical and Magnetic Properties
Jin, H.-G.; Jiang, X.; Kühne, I. A.; Clair, S.; Monnier, V.; Chendo, C.; Novitchi, G.; Powell, A. K.; Kadish, K. M.; Balaban, T. S.
2017. Inorganic chemistry, 56 (9), 4864–4873. doi:10.1021/acs.inorgchem.6b03056

A Three-Pronged Attack To Investigate the Electronic Structure of a Family of Ferromagnetic Fe4Ln2 Cyclic Coordination Clusters: A Combined Magnetic Susceptibility, High-Field/High-Frequency Electron Paramagnetic Resonance, and57Fe Mössbauer Study
Schmidt, S. F. M.; Koo, C.; Mereacre, V.; Park, J.; Heermann, D. W.; Kataev, V.; Anson, C. E.; Prodius, D.; Novitchi, G.; Klingeler, R.; Powell, A. K.
2017. Inorganic chemistry, 56 (9), 4796–4806. doi:10.1021/acs.inorgchem.6b02682

The role of coordinated solvent on Co(II) ions in tuning the single molecule magnet properties in a {CoII2DyIII2} system
Peng, Y.; Mereacre, V.; Anson, C. E.; Powell, A. K.
2017. Dalton transactions, 46 (16), 5337–5343. doi:10.1039/C7DT00548B

Emerging trends in spin crossover (SCO) based functional materials and devices
Senthil Kumar, K.; Ruben, M.
2017. Coordination chemistry reviews, 346, 176–205. doi:10.1016/j.ccr.2017.03.024

Deltoid versus Rhomboid: Controlling the Shape of Bis-ferrocene Macrocycles by the Bulkiness of the Substituents
Hoffmann, V.; Le Pleux, L.; Häussinger, D.; Unke, O. T.; Prescimone, A.; Mayor, M.
2017. Organometallics, 36 (4), 858–866. doi:10.1021/acs.organomet.6b00909

Formation of 2-Azaallyl Cobalt(I) Complexes by Csp³-H Bond Activation
Xing, J.; Sun, H.; Xue, B.; Li, X.; Fuhr, O.; Fenske, D.
2017. Organometallics, 36 (5), 975–980. doi:10.1021/acs.organomet.6b00884

A platform with connections in many directions - Further remarkable facets to the multifaceted methylbiquinoxen dication
Leblanc, N.; Genovese, D.; De Cola, L.; Powell, A. K.
2017. Physical chemistry, chemical physics, 19 (10), 6981–6988. doi:10.1039/c6cp07538j

Formation of Organometallic Intermediate States in On-Surface Ullmann Couplings
Barton, D.; Gao, H.-Y.; Held, P. A.; Studer, A.; Fuchs, H.; Doltsinis, N. L.; Neugebauer, J.
2017. Chemistry - a European journal, 23 (25), 6190–6197. doi:10.1002/chem.201605802

Chirality in curved polyaromatic systems
Rickhaus, M.; Mayor, M.; Juríček, M.
2017. Chemical Society reviews, 46 (6), 1643–1660. doi:10.1039/c6cs00623j

[Ag₁₁₅S₃₄(SCH₂C₆H₄Bu)₄7(dpph)₆]: synthesis, crystal structure and NMR investigations of a soluble silver chalcogenide nanocluster
Bestgen, S.; Fuhr, O.; Breitung, B.; Chakravadhanula, V. S. K.; Guthausen, G.; Hennrich, F.; Yu, W.; Kappes, M. M.; Roesky, P. W.; Fenske, D.
2017. Chemical science, 8 (3), 2235–2240. doi:10.1039/c6sc04578b

Selective photodissociation of tailored molecular tags as a tool for quantum optics
Sezer, U.; Geyer, P.; Kriegleder, M.; Debiossac, M.; Shayeghi, A.; Arndt, M.; Felix, L.; Mayor, M.
2017. Beilstein journal of nanotechnology, 8 (1), 325–333. doi:10.3762/bjnano.8.35

Reactions of iron(II) hydrides formed by selective C–F/C–H bond activation in fluoroaryl-imines
Wang, L.; Sun, H.; Zuo, Z.; Xue, B.; Li, X.; Fuhr, O.; Fenske, D.
2017. Inorganica chimica acta, 461, 64–70. doi:10.1016/j.ica.2017.02.009

Molecular weaving via surface-templated epitaxy of crystalline coordination networks
Wang, Z.; Blaszczyk, A.; Fuhr, O.; Heissler, S.; Wöll, C.; Mayor, M.
2017. Nature Communications, 8, 14442. doi:10.1038/ncomms14442

Catalytic hydrosilylation of carbonyl compounds by hydrido thiophenolato iron(II) complexes
Xue, B.; Sun, H.; Niu, Q.; Li, X.; Fuhr, O.; Fenske, D.
2017. Catalysis communications, 94, 23–28. doi:10.1016/j.catcom.2017.02.008

Single-Molecule Magnets: Giant Hysteresis of Single-Molecule Magnets Adsorbed on a Nonmagnetic Insulator (Adv. Mater. 26/2016)
Wäckerlin, C.; Donati, F.; Singha, A.; Baltic, R.; Rusponi, S.; Diller, K.; Patthey, F.; Pivetta, M.; Lan, Y.; Klyatskaya, S.; Ruben, M.; Brune, H.; Dreiser, J.
2017. Advanced materials, 28 (26), 5142. doi:10.1002/adma.201670180

Covalent-Bond Formation via On-Surface Chemistry
Held, P. A.; Fuchs, H.; Studer, A.
2017. Chemistry - a European journal. doi:10.1002/chem.201604047

p-Doping of polystyrene polymers with attached functional side-groups from solution
Schneider, T.; Limberg, F.; Yao, K.; Armin, A.; Jürgensen, N.; Czolk, J.; Ebenhoch, B.; Friederich, P.; Wenzel, W.; Behrends, J.; Krüger, H.; Colsmann, A.
2017. Journal of materials chemistry / C, 5 (3), 770–776. doi:10.1039/c6tc02346k

Optical properties of trinuclear metal chalcogenolate complexes-room temperature NIR fluorescence in [CuTi(SPh)(PPh)]
Kühn, M.; Lebedkin, S.; Weigend, F.; Eichhöfer, A.
2017. Dalton transactions, 46 (5), 1502–1509. doi:10.1039/c6dt04287b

Vibrational circular dichroism spectra for large molecules and molecules with heavy elements
Reiter, K.; Kühn, M.; Weigend, F.
2017. The journal of chemical physics, 146 (5), Art. Nr.: 054102. doi:10.1063/1.4974897

The chemical space of PbN−nBin and (PbN−nBin)+: A systematic study for N = 3-13
Seifried, C.; Longo, L.; Pollak, P.; Weigend, F.
2017. The journal of chemical physics, 146 (3), Art. Nr.: 034304. doi:10.1063/1.4973838

Correlation of the structural information obtained for europium-chelate ensembles from gas-phase photoluminescence and ion-mobility spectroscopy with density-functional computations and ligand-field theory
Greisch, J.-F.; Chmela, J.; Harding, M. E.; Wunderlich, D.; Schäfer, B.; Ruben, M.; Klopper, W.; Schooss, D.; Kappes, M. M.
2017. Physical chemistry, chemical physics, 19 (8), 6105–6112. doi:10.1039/C6CP04656H

Epitaxy-Induced Assembly and Enantiomeric Switching of an On-Surface Formed Dinuclear Organocobalt Complex
Hellwig, R.; Paintner, T.; Chen, Z.; Ruben, M.; Seitsonen, A. P.; Klappenberger, F.; Brune, H.; Barth, J. V.
2017. ACS nano, 11 (2), 1347–1359. doi:10.1021/acsnano.6b06114

A luminescent Pt₂Fe spin crossover complex
Schäfer, B.; Bauer, T.; Faus, I.; Wolny, J. A.; Dahms, F.; Fuhr, O.; Lebedkin, S.; Wille, H.-C.; Schlage, K.; Chevalier, K.; Rupp, F.; Diller, R.; Schünemann, V.; Kappes, M. M.; Ruben, M.
2017. Dalton transactions, 46 (7), 2289–2302. doi:10.1039/C6DT04360G

Five mononuclear pentacoordinate Co(II) complexes with field-induced slow magnetic relaxation
Rajnák, C.; Titiš, J.; Miklovič, J.; Kostakis, G. E.; Fuhr, O.; Ruben, M.; Boča, R.
2017. Polyhedron, 126, 174–183. doi:10.1016/j.poly.2017.01.028

Generalized Born Implicit Solvent Models for Small Molecule Hydration Free Energies
Brieg, M.; Setzler, J.; Albert, S.; Wenzel, W.
2017. Physical chemistry, chemical physics, 19, 1677–1685. doi:10.1039/C6CP07347F

Platinum Complex Assemblies as Luminescent Probes and Tags for Drugs and Toxins in Water
Sinn, S.; Biedermann, F.; De Cola, L.
2017. Chemistry - a European journal, 23 (8), 1965–1971. doi:10.1002/chem.201605169

Low spin Fe(II) complexes formed of monosubstitued 2,6-bis(2-benzimidazolyl)pyridine ligands
Rajnák, C.; Titiš, J.; Fuhr, O.; Ruben, M.; Boča, R.
2017. Polyhedron, 123, 122–131. doi:10.1016/j.poly.2016.11.009

Exchange-bias quantum tunnelling in a CO₂-based Dy₄-single molecule magnet
Pineda, E. M.; Lan, Y.; Fuhr, O.; Wernsdorfer, W.; Ruben, M.
2017. Chemical science, 8 (2), 1178–1185. doi:10.1039/C6SC03184F

Coinage Metal Complexes of Bis-Alkynyl-Functionalized N-Heterocyclic Carbenes : Reactivity, Photophysical Properties, and Quantum Chemical Investigations
Kiefer, C.; Bestgen, S.; Gamer, M. T.; Kühn, M.; Lebedkin, S.; Weigend, F.; Kappes, M. M.; Roesky, P. W.
2017. Chemistry - a European journal, 23 (7), 1591–1603. doi:10.1002/chem.201604292

Synthesis and reactivity of silyl iron hydride via Sisingle bondH bond activation
Shi, Y.; Li, X.; Zheng, T.; Xue, B.; Zhang, S.; Sun, H.; Fuhr, O.; Fenske, D.
2017. Inorganica chimica acta, 455 (1), 112–117. doi:10.1016/j.ica.2016.10.017

Disorder trapping by rapidly moving phase interface in an undercooled liquid
Galenko, P.; Danilov, D.; Nizovtseva, I.; Reuther, K.; Rettenmayr, M.
2017. 16th International Conference on Liquid and Amorphous Metals, Bad Godesberg, Germany, 4th - 9th September 2016, Art.Nr.: 05001, EDP Sciences. doi:10.1051/epjconf/201715105001

Trapped Ion Electron Diffraction of Metal Cluster Ions
Schooss, D.; Kappes, M. M.
2017. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, Elsevier. doi:10.1016/B978-0-12-409547-2.12963-4

Self-Assembly in Aqueous Media
Biedermann, F.
2017. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering - Comprehensive Supramolecular Chemistry II, 241–268, Elsevier. doi:10.1016/B978-0-12-409547-2.12487-4

Switching Behavior of Tripodal Molecules on Au(111) Studied With STM
Gerhard, L.; Valášek, M.
2017. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering. Ed.: J. Reedijk, Elsevier. doi:10.1016/B978-0-12-409547-2.14156-3

Observation of the influence of dipolar and spin frustration effects on the magnetocaloric properties of a trigonal prismatic \{Gd-7\} molecular nanomagnet
Pineda, E. M.; Lorusso, G.; Zangana, K. H.; Palacios, E.; Schnack, J.; Evangelisti, M.; Winpenny, R. E. P.; McInnes, E. J. L.
2016. Chemical science, 7 (8), 4891–4895. doi:10.1039/c6sc01415a

Copper Keplerates: High-Symmetry Magnetic Molecules
Palacios, M. A.; Pineda, E. M.; Sanz, S.; Inglis, R.; Pitak, M. B.; Coles, S. J.; Evangelisti, M.; Nojiri, H.; Heesing, C.; Brechin, E. K.; Schnack, J.; Winpenny, R. E. P.
2016. ChemPhysChem, 17 (1), 55–60. doi:10.1002/cphc.201500956

Steric Clash in the SET Domain of Histone Methyltransferase NSD1 as a Cause of Sotos Syndrome and Its Genetic Heterogeneity in a Brazilian Cohort
Ha, K.; Anand, P.; Lee, J.; Jones, J.; Kim, C.; Bertola, D.; Labonne, J.; Layman, L.; Wenzel, W.; Kim, H.-G.
2016. Genes, 7 (11), Art. Nr.: 96. doi:10.3390/genes7110096

A Controlled Route to a Luminescent 3 d10–5 d10 Sulfido Cluster Containing Unique AuCu2(μ3-S) Motifs
Polgar, A. M.; Khadka, C. B.; Azizpoor Fard, M.; Nikkel, B.; O’Donnell, T.; Neumann, T.; Lahring, K.; Thompson, K.; Cadogan, C.; Weigend, F.; Corrigan, J. F.
2016. Chemistry - a European journal, 22 (51), 18378–18382. doi:10.1002/chem.201604880

Breakable Hybrid Organosilica Nanocapsules for Protein Delivery
Prasetyanto, E. A.; Bertucci, A.; Septiadi, D.; Corradini, R.; Castro-Hartmann, P.; De Cola, L.
2016. Angewandte Chemie / International edition, 55 (10), 3323–3327. doi:10.1002/anie.201508288

Surface confinement of TbPc₂-SMMs: structural, electronic and magnetic properties
Moreno Pineda, E.; Komeda, T.; Katoh, K.; Yamashita, M.; Ruben, M.
2016. Dalton transactions, 45 (46), 18417–18433. doi:10.1039/C6DT03298B

Homoleptic Chiral Benzamidinate Complexes of Rare-Earth Elements: Synthesis, Structure, Luminescence, and Magnetism
He, M.; Chen, Z.; Pineda, E. M.; Liu, X.; Bouwman, E.; Ruben, M.; Roesky, P. W.
2016. European journal of inorganic chemistry, (36), 5512–5518. doi:10.1002/ejic.201600851

Concomitant partial exon skipping by a unique missense mutation of RPS6KA3 causes Coffin–Lowry syndrome
Labonne, J. D. J.; Chung, M. J.; Jones, J. R.; Anand, P.; Wenzel, W.; Iacoboni, D.; Layman, L. C.; Kim, H.-G.
2016. Gene, 575 (1), 42–47. doi:10.1016/j.gene.2015.08.032

Ruthenium Cluster Structure Change Induced by Hydrogen Adsorption: Ru₁₉-
Bumüller, D.; Hehn, A.-S.; Waldt, E.; Ahlrichs, R.; Kappes, M. M.; Schooss, D.
2016. The journal of physical chemistry <Washington, DC> / C, 121 (20), 10645–10652. doi:10.1021/acs.jpcc.6b09521

Controlled manipulation of the Co–Alq₃ interface by rational design of Alq₃ derivatives
Großmann, N.; Magri, A.; Laux, M.; Stadtmüller, B.; Thielen, P.; Schäfer, B.; Fuhr, O.; Ruben, M.; Cinchetti, M.; Aeschlimann, M.
2016. Dalton transactions, 45 (45), 18365–18376. doi:10.1039/C6DT03183H

Synthesis and characterization of a mixed-valent Mn11–La2 aggregate with benzoate
Akhtar, M. N.; Lan, Y.; Mereacre, V.; AlDamen, M. A.; Anson, C. E.; Powell, A. K.
2016. Monatshefte für Chemie, 148 (5), 887–891. doi:10.1007/s00706-016-1820-9

Magnetic anisotropy of a CoII single ion magnet with distorted trigonal prismatic coordination: theory and experiment
Peng, Y.; Bodenstein, T.; Fink, K.; Mereacre, V.; Anson, C. E.; Powell, A. K.
2016. Physical chemistry, chemical physics, 18 (43), 30135–30143. doi:10.1039/C6CP03157A

Promoted Exchange Reaction between Alkanethiolate Self-Assembled Monolayers and an Azide-Bearing Substituent
Yan, R.; Le Pleux, L.; Mayor, M.; Zharnikov, M.
2016. The journal of physical chemistry <Washington, DC> / C, 120 (45), 25967–25976. doi:10.1021/acs.jpcc.6b09565

Polymeric cobalt(II) thiolato complexes-syntheses, structures and properties of [Co(SMes)] and [Co(SPh)NH]
Eichhöfer, A.; Buth, G.
2016. Dalton transactions, 45 (43), 17382–17391. doi:10.1039/c6dt03098j

How Far can the Anisotropy Deviate from Uniaxiality in a Dy-Based Single-Molecule Magnet? Dinuclear Dy(III) Complex Study
Baniodeh, A.; Mondal, A.; Galeev, R.; Sukhanov, A.; Eremina, R.; Voronkova, V.; Anson, C. E.; Powell, A. K.
2016. Applied magnetic resonance, 48 (1), 101–113. doi:10.1007/s00723-016-0852-y

Coupling molecular spin centers to microwave planar resonators: towards integration of molecular qubits in quantum circuits
Bonizzoni, C.; Ghirri, A.; Bader, K.; Slageren, J. van; Perfetti, M.; Sorace, L.; Lan, Y.; Fuhr, O.; Rubene, M.; Affronte, M.
2016. Dalton transactions, 45 (42), 16596–16603. doi:10.1039/C6DT01953F

Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature
Gómez, V.; Fuhr, O.; Ruben, M.
2016. CrystEngComm, 18 (42), 8207–8219. doi:10.1039/C6CE01684G

Relay-Like Exchange Mechanism through a Spin Radical between TbPc₂ Molecules and Graphene/Ni(111) Substrates
Marocchi, S.; Candini, A.; Klar, D.; Van den Heuvel, W.; Huang, H.; Troiani, F.; Corradini, V.; Biagi, R.; De Renzi, V.; Klyatskaya, S.; Kummer, K.; Brookes, N. B.; Ruben, M.; Wende, H.; Pennino, U. del; Soncini, A.; Affronte, M.; Bellini, V.
2016. ACS nano, 10 (10), 9353–9360. doi:10.1021/acsnano.6b04107

Selective C–F and C–H Activation of Fluoroarenes by Fe(PMe₃)₄ and Catalytic Performance of Iron Hydride in Hydrosilylation of Carbonyl Compounds
Zheng, T.; Li, J.; Zhang, S.; Xue, B.; Sun, H.; Li, X.; Fuhr, O.; Fenske, D.
2016. Organometallics, 35 (20), 3538–3545. doi:10.1021/acs.organomet.6b00546

The selective activation of a C–F bond with an auxiliary strong Lewis acid: a method to change the activation preference of C–F and C–H bonds
Wang, L.; Sun, H.; Li, X.; Fuhr, O.; Fenske, D.
2016. Dalton transactions, 45 (45), 18133–18141. doi:10.1039/C6DT03235D

Activation of CO, CS, and Dehydrogenation of Formic Acid Catalyzed by Iron(II) Hydride Complexes
Wang, L.; Sun, H.; Zuo, Z.; Li, X.; Xu, W.; Langer, R.; Fuhr, O.; Fenske, D.
2016. European journal of inorganic chemistry, 2016 (33), 5205–5214. doi:10.1002/ejic.201600642

Spin Helicity in Chiral Lanthanide Chains
Mihalcea, I.; Perfetti, M.; Pineider, F.; Tesi, L.; Mereacre, V.; Wilhelm, F.; Rogalev, A.; Anson, C. E.; Powell, A. K.; Sessoli, R.
2016. Inorganic chemistry, 55 (20), 10068–10074. doi:10.1021/acs.inorgchem.6b01010

Supramolecular 3d–4f single-molecule magnet architectures
Schmitz, S.; Leusen, J. van; Izarova, N. V.; Lan, Y.; Wernsdorfer, W.; Kögerler, P.; Monakhov, K. Y.
2016. Dalton transactions, 45 (41), 16148–16152. doi:10.1039/C6DT03392J

{[CuSn₅Sb₃]²⁻}₂: A Dimer of Inhomogeneous Superatoms
Wilson, R. J.; Broeckaert, L.; Spitzer, F.; Weigend, F.; Dehnen, S.
2016. Angewandte Chemie / International edition, 55 (39), 11775–11780. doi:10.1002/anie.201603455

A combined experimental and quantum chemical study on thallium(I) tris(pyrazolyl)methanide
Kuzu, I.; Baldes, A.; Weigend, F.; Breher, F.
2016. Polyhedron, 125, 74–79. doi:10.1016/j.poly.2016.09.017

Nanomolar Binding of Steroids to Cucurbit[n]urils: Selectivity and Applications
Lazar, A. I.; Biedermann, F.; Mustafina, K. R.; Assaf, K. I.; Hennig, A.; Nau, W. M.
2016. Journal of the American Chemical Society, 138 (39), 13022–13029. doi:10.1021/jacs.6b07655

Efficient reductive dehydration of primary amides to nitriles catalyzed by hydrido thiophenolato iron(II) complexes under hydrosilation conditions
Xue, B.; Sun, H.; Wang, Y.; Zheng, T.; Li, X.; Fuhr, O.; Fenske, D.
2016. Catalysis communications, 86, 148–150. doi:10.1016/j.catcom.2016.08.024

A Ratiometric Luminescent Switch Based on Platinum Complexes Tethered to a Crown-Ether Scaffold
Sinn, S.; Biedermann, F.; Vishe, M.; Aliprandi, A.; Besnard, C.; Lacour, J.; De Cola, L.
2016. ChemPhysChem, 17 (12), 1829–1834. doi:10.1002/cphc.201501171

Divergent Coordination Chemistry: Parallel Synthesis of [2x2] Iron(II) Grid-Complex Tauto-Conformers
Schaefer, B.; Greisch, J.-F.; Faus, I.; Bodenstein, T.; Salitros, I.; Fuhr, O.; Fink, K.; Schuenemann, V.; Kappes, M. M.; Ruben, M.
2016. Angewandte Chemie / International edition, 55 (36), 10881–10885. doi:10.1002/anie.201603916

Importance of the Anchor Group Position (Para versus Meta) in Tetraphenylmethane Tripods: Synthesis and Self-Assembly Features
Lindner, M.; Valasek, M.; Homberg, J.; Edelmann, K.; Gerhard, L.; Wulfhekel, W.; Fuhr, O.; Waechter, T.; Zharnikov, M.; Kolivoska, V.; Pospisil, L.; Meszaros, G.; Hromadova, M.; Mayor, M.
2016. Chemistry - a European journal, 22 (37), 13218–13235. doi:10.1002/chem.201602019

CO2 Binding and Induced Structural Collapse of a Surface-Supported Metal-Organic Network
Cechal, J.; Kley, C. S.; Petuya, R.; Schramm, F.; Ruben, M.; Stepanow, S.; Arnau, A.; Kern, K.
2016. The journal of physical chemistry <Washington, DC> / C, 120 (33), 18622–18630. doi:10.1021/acs.jpcc.6b05582

A new class of epitaxial porphyrin metal-organic framework thin films with extremely high photocarrier generation efficiency: promising materials for all-solid-state solar cells
Liu, J.; Zhou, W.; Liu, J.; Fujimori, Y.; Higashino, T.; Imahori, H.; Jiang, X.; Zhao, J.; Sakurai, T.; Hattori, Y.; Matsuda, W.; Seki, S.; Garlapati, S. K.; Dasgupta, S.; Redel, E.; Sunag, L.; Woll, C.
2016. Journal of materials chemistry / A, 4 (33), 12739–12747. doi:10.1039/c6ta04898f

From Planar to Cage in 15 Easy Steps: Resolving the C60H21F9– → C60– Transformation by Ion Mobility Mass Spectrometry
Greisch, J.-F.; Amsharov, K. Y.; Weippert, J.; Weis, P.; Boettcher, A.; Kappes, M. M.
2016. Journal of the American Chemical Society, 138 (35), 11254–11263. doi:10.1021/jacs.6b06205

Solvent-Induced Polymorphism of Iron(II) Spin Crossover Complexes
Salitros, I.; Fuhr, O.; Ruben, M.
2016. Materials, 9 (7), Art.Nr.:506. doi:10.3390/ma9070585

Synthesis and molecular structure of a spheroidal binary nanoscale copper sulfide cluster
Bestgen, S.; Fuhr, O.; Roesky, P. W.; Fenske, D.
2016. Dalton transactions, 45, 14907–14910. doi:10.1039/C6DT03311C

Fast Targeting and Cancer Cell Uptake of Luminescent Antibody-Nanozeolite Bioconjugates
Marega, R.; Prasetyanto, E. A.; Michiels, C.; De Cola, L.; Bonifazi, D.
2016. Small, 12 (39), 5431–5441. doi:10.1002/smll.201601447

Stretching-Induced Conductance Increase in a Spin-Crossover Molecule
Frisenda, R.; Harzmann, G. D.; Celis Gil, J. A.; Thijssen, J. M.; Mayor, M.; Van Der Zant, H. S. J.
2016. Nano letters, 16 (8), 4733–4737. doi:10.1021/acs.nanolett.5b04899

Multiple superhyperfine fields in a {DyFe2Dy} coordination cluster revealed using bulk susceptibility and Fe-57 Mossbauer studies
Peng, Y.; Mereacre, V.; Anson, C. E.; Powell, A. K.
2016. Physical chemistry, chemical physics, 18 (31), 21469–21480. doi:10.1039/c6cp02942f

Syntheses and structural characterization of amphiphilic mononuclear complexes [FeIII(L)(X)2] (X = Br, SCN)
Ako, A. M.; Hill, J. P.; Anson, C. E.; Ariga, K.; Powell, A. K.
2016. Journal of coordination chemistry, 69 (21), 3182–3191. doi:10.1080/00958972.2016.1231305

Surface-Guided Formation of an Organocobalt Complex
Weber, P. B.; Hellwig, R.; Paintner, T.; Lattelais, M.; Paszkiewicz, M.; Aguilar, P. C.; Deimel, P. S.; Guo, Y.; Zhang, Y.-Q.; Allegretti, F.; Papageorgiou, A. C.; Reichert, J.; Klyatskaya, S.; Ruben, M.; Barth, J. V.; Bocquet, M.-L.; Klappenberger, F.
2016. Angewandte Chemie / International edition, 55 (19), 5754–5759. doi:10.1002/anie.201600567

Adamantyl- and Furanyl-Protected Nanoscale Silver Sulfide Clusters
Bestgen, S.; Yang, X.; Issac, I.; Fuhr, O.; Roesky, P. W.; Fenske, D.
2016. Chemistry - a European journal, 22 (29), 9933–9937. doi:10.1002/chem.201602158

A switchable self-assembling and disassembling chiral system based on a porphyrin-substituted phenylalanine-phenylalanine motif
Charalambidis, G.; Georgilis, E.; Panda, M. K.; Anson, C. E.; Powell, A. K.; Doyle, S.; Moss, D.; Jochum, T.; Horton, P. N.; Coles, S. J.; Linares, M.; Beljonne, D.; Naubron, J.-V.; Conradt, J.; Kalt, H.; Mitraki, A.; Coutsolelos, A. G.; Balaban, T. S.
2016. Nature Communications, 7, 12657/1–11. doi:10.1038/ncomms12657

Nickel(II) complexes of amine functionalized N-heterocyclic carbenes (NHCs), synthesis and catalysis in Kumada coupling of aryl chlorides
Zhang, S.; Li, X.; Sun, H.; Fuhr, O.; Fenske, D.
2016. Journal of organometallic chemistry, 820, 41–45. doi:10.1016/j.jorganchem.2016.07.024

Supramolecular reactions of metallo-architectures: Ag₂-double-helicate/Zn₄-grid, Pb₄-grid/Zn₄-grid interconversions, and Ag₂-double-helicate fusion
Stadler, A.-M.; Ramírez, J.; Lehn, J.-M.; Vincent, B.
2016. Chemical science, 7 (6), 3689–3693. doi:10.1039/c5sc04403k

C-Au Covalently Bonded Molecular Junctions Using Nonprotected Alkynyl Anchoring Groups
Olavarria-Contreras, I. J.; Perrin, M. L.; Chen, Z.; Klyatskaya, S.; Ruben, M.; Van Der Zant, H. S. J.
2016. Journal of the American Chemical Society, 138 (27), 8465–8469. doi:10.1021/jacs.6b03383

Synthesis and Characterization of Diorganocobalt Chlorides by Aliphatic Vinylic C–Cl Bond Activation
Niu, Q.; Zhang, S.; Li, X.; Sun, H.; Fuhr, O.; Fenske, D.
2016. Zeitschrift für anorganische und allgemeine Chemie, 642 (15), 866–869. doi:10.1002/zaac.201600186

Phenalenyl-based mononuclear dysprosium complexes
Lan, Y.; Magri, A.; Fuhr, O.; Ruben, M.
2016. Beilstein journal of nanotechnology, 7, 995–1009. doi:10.3762/bjnano.7.92

Ligand-lipid and ligand-core affinity control the interaction of gold nanoparticles with artificial lipid bilayers and cell membranes
Broda, J.; Setzler, J.; Leifert, A.; Steitz, J.; Benz, R.; Simon, U.; Wenzel, W.
2016. Nanomedicine / Nanotechnology, biology and medicine, 12 (5), 1409–1419. doi:10.1016/j.nano.2015.12.384

Main Group Metal-Actinide Magnetic Coupling and Structural Response Upon U Inclusion into Bi, Tl/Bi, or Pb/Bi Cages
Lichtenberger, N.; Wilson, R. J.; Eulenstein, A. R.; Massa, W.; Clérac, R.; Weigend, F.; Dehnen, S.
2016. Journal of the American Chemical Society, 138 (29), 9033–9036. doi:10.1021/jacs.6b04363

First heterometallic GaIII-DyIII single-molecule magnets: Implication of GaIII in extracting Fe-Dy interaction
Chen, S.; Mereacre, V.; Anson, C. E.; Powell, A. K.
2016. Dalton transactions, 45 (22), 9336–9344. doi:10.1039/c6dt01364c

Bilayer of Terbium Double-Decker Single-Molecule Magnets
Serrano, G.; Wiespointner-Baumgarthuber, S.; Tebi, S.; Klyatskaya, S.; Ruben, M.; Koch, R.; Müllegger, S.
2016. The journal of physical chemistry <Washington, DC> / C, 120 (25), 13581–13586. doi:10.1021/acs.jpcc.6b03676

Multitechnique investigation of Dy3-implications for coupled lanthanide clusters
Gysler, M.; El Hallak, F.; Ungur, L.; Marx, R.; Hakl, M.; Neugebauer, P.; Rechkemmer, Y.; Lan, Y.; Sheikin, I.; Orlita, M.; Anson, C. E.; Powell, A. K.; Sessoli, R.; Chibotaru, L. F.; Van Slageren, J.
2016. Chemical science, 7 (7), 4347–4354. doi:10.1039/c6sc00318d

Ultrarobust Thin-Film Devices from Self-Assembled Metal-Terpyridine Oligomers
Karipidou, Z.; Branchi, B.; Sarpasan, M.; Knorr, N.; Rodin, V.; Friederich, P.; Neumann, T.; Meded, V.; Rosselli, S.; Nelles, G.; Wenzel, W.; Rampi, M. A.; Wrochem, F. von
2016. Advanced materials, 28 (18), 3473–3480. doi:10.1002/adma.201504847

Rotationally Restricted 1,1′-Bis(phenylethynyl)ferrocene Subunits in Macrocycles
Hoffmann, V.; Jenny, N.; Haeussinger, D.; Neuburger, M.; Mayor, M.
2016. European journal of organic chemistry, 2016 (12), 2187–2199. doi:10.1002/ejoc.201600158

Molecular Origin of the Charge Carrier Mobility in Small Molecule Organic Semiconductors
Friederich, P.; Meded, V.; Poschlad, A.; Neumann, T.; Rodin, V.; Stehr, V.; Symalla, F.; Danilov, D.; Lüdemann, G.; Fink, R. F.; Kondov, I.; Wrochem, F. von; Wenzel, W.
2016. Advanced functional materials, 26 (31), 5757–5763. doi:10.1002/adfm.201601807

Erratum: Alkynyl-functionalized gold NHC complexes and their coinage metal clusters (Dalton Transactions, 2015, 44 S.13662-13670)
Kiefer, C.; Bestgen, S.; Gamer, M. T.; Lebedkin, S.; Kappes, M. M.; Roesky, P. W.
2016. Dalton Transactions, 45 (7), 3182. doi:10.1039/c6dt90020h

Experimental Binding Energies in Supramolecular Complexes
Biedermann, F.; Schneider, H.-J.
2016. Chemical Reviews, 116 (9), 5216–5300. doi:10.1021/acs.chemrev.5b00583

Ab initio charge-carrier mobility model for amorphous molecular semiconductors
Massé, A.; Friederich, P.; Symalla, F.; Liu, F.; Nitsche, R.; Coehoorn, R.; Wenzel, W.; Bobbert, P. A.
2016. Physical Review B - Condensed Matter and Materials Physics, 93 (19), 195209/1–9. doi:10.1103/PhysRevB.93.195209

Mechano- and Photochromism from Bulk to Nanoscale: Data Storage on Individual Self-Assembled Ribbons
Genovese, D.; Aliprandi, A.; Prasetyanto, E. A.; Mauro, M.; Hirtz, M.; Fuchs, H.; Fujita, Y.; Uji-I, H.; Lebedkin, S.; Kappes, M.; De Cola, L.
2016. Advanced functional materials, 26 (29), 5271–5278. doi:10.1002/adfm.201601269

Enhancing Electrochemiluminescence of Chalcogenide Clusters by Means of Mn Replacement
Hesari, M.; Turnbull, J.; Khadka, C. B.; Weigend, F.; Corrigan, J. F.; Ding, Z.
2016. Electrochimica acta, 210 (August), 79–86. doi:10.1016/j.electacta.2016.05.046

Identification of the current path for a conductive molecular wire on a tripodal platform
Karimi, M. A.; Bahoosh, S. G.; Valášek, M.; Bürkle, M.; Mayor, M.; Paulya, F.; Scheer, E.
2016. Nanoscale, 8 (20), 10582–10590. doi:10.1039/C5NR08708B

A fascinating multifaceted redox-Active chelating ligand: Introducing the: N, N ′-dimethyl-3,3′-biquinoxalinium "methylbiquinoxen" platform
Leblanc, N.; Sproules, S.; Fink, K.; Sanguinet, L.; Alévêque, O.; Levillain, E.; Rosa, P.; Powell, A. K.
2016. Chemical Science, 7 (6), 3820–3828. doi:10.1039/c5sc04904k

An Undecanuclear Ferrimagnetic Cu₉Dy₂ Single Molecule Magnet Achieved through Ligand Fine-Tuning
Kühne, I. A.; Kostakis, G. E.; Anson, C. E.; Powell, A. K.
2016. Inorganic Chemistry, 55 (9), 4072–4074. doi:10.1021/acs.inorgchem.6b00490

Early-Late Heterometallic Complexes of Gold and Zirconium: Photoluminescence and Reactivity
Bestgen, S.; Schoo, C.; Zovko, C.; Köppe, R.; Kelly, R. P.; Lebedkin, S. F.; Kappes, M. M.; Roesky, P. W.
2016. Chemistry - a European journal, 22 (21), 7115–7126. doi:10.1002/chem.201600476

Giant Hysteresis of Single-Molecule Magnets Adsorbed on a Nonmagnetic Insulator
Wäckerlin, C.; Donati, F.; Singha, A.; Baltic, R.; Rusponi, S.; Diller, K.; Patthey, F.; Pivetta, M.; Lan, Y.; Klyatskaya, S. V.; Ruben, M.; Brune, H.; Dreiser, J.
2016. Advanced Materials, 28 (26), 5195–5199. doi:10.1002/adma.201506305

Ultrasmall inorganic nanoparticles: State-of-the-art and perspectives for biomedical applications [review]
Zarschler, K.; Rocks, L.; Licciardello, N.; Boselli, L.; Polo, E.; Garcia, K. P.; De Cola, L.; Stephan, H.; Dawson, K. A.
2016. Nanomedicine: Nanotechnology, Biology, and Medicine, 12 (6), 1663–1701. doi:10.1016/j.nano.2016.02.019

Penetrating the Elusive Mechanism of Copper-Mediated Fluoromethylation in the Presence of Oxygen through the Gas-Phase Reactivity of Well-Defined [LCuO]⁺ Complexes with Fluoromethanes (CH(4-n)Fn, n = 1-3)
Rijs, N. J.; Gonzalez-Navarrete, P.; Schlangen, M.; Schwarz, H.
2016. Journal of the American Chemical Society, 138 (9), 3125–3135. doi:10.1021/jacs.5b12972

Strain-induced helical chirality in polyaromatic systems
Rickhaus, M.; Mayor, M.; Juricek, M.
2016. Chemical Society reviews, 45 (6), 1542–1556. doi:10.1039/C5CS00620A

Breakable mesoporous silica nanoparticles for targeted drug delivery
Maggini, L.; Cabrera, I.; Ruiz-Carretero, A.; Prasetyanto, E. A.; Robinet, E.; De Cola, L.
2016. Nanoscale, 8 (13), 7240–7247. doi:10.1039/c5nr09112h

Q and Soret Band Photoexcitation of Isolated Palladium Porphyrin Tetraanions Leads to Delayed Emission of Nonthermal Electrons over Microsecond Time Scales
Jäger, P.; Brendle, K.; Schwarz, U.; Himmelsbach, M.; Armbruster, M. K.; Fink, K.; Weis, P.; Kappes, M. M.
2016. The journal of physical chemistry letters, 7 (7), 1167–1172. doi:10.1021/acs.jpclett.6b00407

Mixed-Valent Mn16-Containing Heteropolyanions: Tuning of Oxidation State and Associated Physicochemical Properties
Haider, A.; Ibrahim, M.; Bassil, B. S.; Carey, A. M.; Viet, A. N.; Xing, X.; Ayass, W. W.; Minambres, J. F.; Liu, R.; Zhang, G.; Keita, B.; Mereacre, V.; Powell, A. K.; Balinski, K.; N’Diaye, A. T.; Küpper, K.; Chen, H.-Y.; Stimming, U.; Kortz, U.
2016. Inorganic Chemistry, 55 (6), 2755–2764. doi:10.1021/acs.inorgchem.5b02503

Molecular and Electronic Structure of the Cluster [Au₈(PPh₃)₈](NO₃)₂
Gutrath, B. S.; Schiefer, F.; Homberger, M.; Englert, U.; Åžerb, M.-D.; Bettray, W.; Beljakov, I.; Meded, V.; Wenzel, W.; Simon, U.
2016. European Journal of Inorganic Chemistry, 2016 (7), 975–981. doi:10.1002/ejic.201501334

Internal C–C Bond Rotation in Photoisomers of α-Bisimines: A Light-Responsive Two-Step Molecular Speed Regulator Based on Double Imine Photoswitching
Greb, L.; Eichhöfer, A.; Lehn, J.-M.
2016. European Journal of Organic Chemistry, 2016 (7), 1243–1246. doi:10.1002/ejoc.201600113

Controlled Folding, Motional, and Constitutional Dynamic Processes of Polyheterocyclic Molecular Strands
Barboiu, M.; Stadler, A.-M.; Lehn, J.-M.
2016. Angewandte Chemie / International edition, 55 (13), 4130–4154. doi:10.1002/anie.201505394

Gas-Phase Photoluminescence Characterization of Stoichiometrically Pure Nonanuclear Lanthanoid Hydroxo Complexes Comprising Europium or Gadolinium
Greisch, J.-F.; Chmela, J.; Harding, M. E.; Klopper, W.; Kappes, M. M.; Schooss, D.
2016. Inorganic chemistry, 55 (7), 3316–3323. doi:10.1021/acs.inorgchem.5b02510

Rigid multipodal platforms for metal surfaces
Valasek, M.; Lindner, M.; Mayor, M.
2016. Beilstein journal of nanotechnology, 7 (1), 374–405. doi:10.3762/bjnano.7.34

Influence of Meso and Nanoscale Structure on the Properties of Highly Efficient Small Molecule Solar Cells
Moench, T.; Friederich, P.; Holzmueller, F.; Rutkowski, B.; Benduhn, J.; Strunk, T.; Koerner, C.; Vandewal, K.; Czyrska-Filemonowicz, A.; Wenzel, W.; Leo, K.
2016. Advanced energy materials, 6 (4), Art.-Nr. 1501280. doi:10.1002/aenm.201501280

Understanding of multimetallic cluster growth
Mitzinger, S.; Broeckaert, L.; Massa, W.; Weigend, F.; Dehnen, S.
2016. Nature Communications, 7, 10480. doi:10.1038/ncomms10480

Unusual metal-ligand charge transfer in ferrocene functionalized μ₃-O iron carboxylates observed with Mössbauer spectroscopy
Mereacre, V.; Schlageter, M.; Eichhöfer, A.; Bauer, T.; Wolny, J. A.; Schünemann, V.; Powell, A. K.
2016. Journal of magnetism and magnetic materials, 407, 87–91. doi:10.1016/j.jmmm.2016.01.052

Biodegradable Peptide-Silica Nanodonuts
Maggini, L.; Travaglini, L.; Cabrera, I.; Castro-Hartmann, P.; De Cola, L.
2016. Chemistry - A European Journal, 22 (11), 3697–3703. doi:10.1002/chem.201504605

Time-resolved photoelectron spectroscopy of a dinuclear Pt(II) complex: Tunneling autodetachment from both singlet and triplet excited states of a molecular dianion
Winghart, M.-O.; Yang, J.-P.; Vonderach, M.; Unterreiner, A.-N.; Huang, D.-L.; Wang, L.-S.; Kruppa, S.; Riehn, C.; Kappes, M. M.
2016. Journal of Chemical Physics, 144 (5), 054305. doi:10.1063/1.4940795

Field-Induced Slow Magnetic Relaxation in the Ni(I) Complexes [NiCl(PPh₃)₂]·C₄H₈O and [Ni(N(SiMe₃)₂)(PPh₃)₂]
Lin, W.; Bodenstein, T.; Mereacre, V.; Fink, K.; Eichhöfer, A.
2016. Inorganic chemistry, 55 (5), 2091–2100. doi:10.1021/acs.inorgchem.5b02497

Linear Tetraphenylmethane-Based Thioether Oligomers Stabilising an Entire Gold Nanoparticle by Enwrapping
Lehmann, M.; Peters, E. H.; Mayor, M.
2016. Chemistry - A European Journal, 22 (7), 2261–2265. doi:10.1002/chem.201504575

Chiral Porous Metacrystals: Employing Liquid-Phase Epitaxy to Assemble Enantiopure Metal-Organic Nanoclusters into Molecular Framework Pores
Gu, Z.-G.; Fu, H.; Neumann, T.; Xu, Z.-X.; Fu, W.-Q.; Wenzel, W.; Zhang, L.; Zhang, J.; Wöll, C.
2016. ACS nano, 10 (1), 977–983. doi:10.1021/acsnano.5b06230

Spin-communication channels between Ln(III) bis-phthalocyanines molecular nanomagnets and a magnetic substrate
Candini, A.; Klar, D.; Marocchi, S.; Corradini, V.; Biagi, R.; De Renzi, V.; Del Pennino, U.; Troiani, F.; Bellini, V.; Klyatskaya, S.; Ruben, M.; Kummer, K.; Brookes, N. B.; Huang, H.; Soncini, A.; Wende, H.; Affronte, M.
2016. Scientific reports, 6, 21740. doi:10.1038/srep21740

Heptanickel(II) double-cubane core in wells-dawson heteropolytungstate, [Ni₇(OH)₆(H₂O)₆(P₂W₁₅O₅₆)₂]¹⁶⁻
Bassil, B. S.; Xiang, Y.; Haider, A.; Hurtado, J.; Novitchi, G.; Powell, A. K.; Bossoh, A. M.; Mbomekallé, I. M.; De Oliveira, P.; Kortz, U.
2016. Chemical communications, 52 (12), 2601–2604. doi:10.1039/c5cc09823h

Effect of Mg²⁺ and Ti⁴⁺ dopants on the structural, magnetic and high-frequency ferromagnetic properties of barium hexaferrite
Shams, M. H.; Rozatian, A. S. H.; Yousefi, M. H.; Valicek, J.; Sepelak, V.
2016. Journal of Magnetism and Magnetic Materials, 399, 10–18. doi:10.1016/j.jmmm.2015.08.099

Single-molecule magnet behavior in 2,2 ’-bipyrimidine-bridged dilanthanide complexes
Yu, W.; Schramm, F.; Moreno Pineda, E.; Lan, Y.; Fuhr, O.; Chen, J.; Isshiki, H.; Wernsdorfer, W.; Wulfhekel, W.; Ruben, M.
2016. Beilstein journal of nanotechnology, 7, 126–137. doi:10.3762/bjnano.7.15

Effect of Ligand Field Tuning on the SMM Behavior for Three Related Alkoxide-Bridged Dysprosium Dimers
Peng, Y.; Mereacre, V.; Baniodeh, A.; Lan, Y.; Schlageter, M.; Kostakis, G. E.; Powell, A. K.
2016. Inorganic Chemistry, 55 (1), 68–74. doi:10.1021/acs.inorgchem.5b01793

Nine members of a family of nine-membered cyclic coordination clusters; Fe₆Ln₃ wheels (Ln = Gd to Lu and Y)
Kühne, I. A.; Mereacre, V.; Anson, C. E.; Powell, A. K.
2016. Chemical Communications, 52 (5), 1021–1024. doi:10.1039/c5cc08887a

Surface induces different crystal structures in a room temperature switchable spin crossover compound
Gentili, D.; Liscio, F.; Demitri, N.; Schäfer, B.; Borgatti, F.; Torelli, P.; Gobaut, B.; Panaccione, G.; Rossi, G.; Degli Esposti, A.; Gazzano, M.; Milita, S.; Bergenti, I.; Ruani, G.; Salitros, I.; Ruben, M.; Cavallini, M.
2016. Dalton transactions, 45 (1), 134–143. doi:10.1039/C5DT03712C

Controlling and imaging biomimetic self-assembly
Aliprandi, A.; Mauro, M.; Cola, L. D.
2016. Nature chemistry, 8 (1), 10–15. doi:10.1038/nchem.2383

Differential Many-Body Cooperativity in Electronic Spectra of Oligonuclear Transition-Metal Complexes
Chmela, J.; Harding, M. E.; Matioszek, D.; Anson, C. E.; Breher, F.; Klopper, W.
2016. ChemPhysChem, 17 (1), 37–45. doi:10.1002/cphc.201500626

A single molecule magnet to single molecule magnet transformation via a solvothermal process: Fe₄Dy₂ →Fe₆Dy₃
Chen, S.; Mereacre, V.; Anson, C. E.; Powell, A. K.
2016. Dalton Transactions, 45 (1), 98–106. doi:10.1039/C5DT03909F

Direct surface visualization of biofilms with high spin coordination clusters using Magnetic Resonance Imaging
Ranzinger, F.; Herrling, M. P.; Lackner, S.; Grande, V. W.; Baniodeh, A.; Powell, A. K.; Horn, H.; Guthausen, G.
2016. Acta biomaterialia, 31, 167–177. doi:10.1016/j.actbio.2015.12.007

Modeling peptide adsorption on inorganic surfaces
Anand, P.; Borkowska-Panek, M.; Gußmann, F.; Fink, K.; Wenzel, W.
2016. Computational Methods in Systems Biology : 14th International Conference (CMSB), Cambridge, UK, September 21-23, 2016. Ed.: E. Bartocci, 339–340, Springer-Verlag

A family of fourteen soluble stable macrocyclic [Ni II 3 LnIII] heterometallic 3d-4f complexes
Feltham, H. L. C.; Dhers, S.; Rouzieres, M.; Clerac, R.; Powell, A. K.; Brooker, S.
2015. Inorganic Chemistry Frontiers, 2 (11), 982–990. doi:10.1039/c5qi00130g

Diagnostic implementation of fast and selective integrin-mediated adhesion of cancer cells on functionalized zeolite L monolayers
Greco, A.; Maggini, L.; De Cola, L.; De Marco, R.; Gentilucci, L.
2015. Bioconjugate Chemistry, 26 (9), 1873–1878. doi:10.1021/acs.bioconjchem.5b00350

Synthesis and characterization of 8-Yttrium(III)-containing 81-tungsto-8-arsenate(III), [Y₈(CH₃COO)(H₂O)₁₈(As₂W₁₉O₆₈)₄(W₂O₆)₂(WO₄)]⁴⁴⁻
Ibrahim, M.; Bassil, B. S.; Kortz, U.
2015. Inorganics, 3, 267–278. doi:10.3390/inorganics3020267

A Ca²⁺-, Mg²⁺-, and Zn²⁺-based dendritic contractile nanodevice with two pH-dependent motional functions
Stadler, A. M.; Karmazin, L.; Bailly, C.
2015. Angewandte Chemie / International edition, 54, 14570–14574. doi:10.1002/anie.201506474

Tuning helical chirality in polycyclic ladder systems
Rickhaus, M.; Unke, O. T.; Mannancherry, R.; Bannwart, L. M.; Neuburger, M.; Häussinger, D.; Mayor, M.
2015. Chemistry - a European journal, 21, 18156–18167. doi:10.1002/chem.201503202

Self-assembly of a giant tetrahedral 3 d-4 f single-molecule magnet within a polyoxometalate system
Ibrahim, M.; Mereacre, V.; Leblanc, N.; Wernsdorfer, W.; Anson, C. E.; Powell, A. K.
2015. Angewandte Chemie / International edition, 54 (51), 15574–15578. doi:10.1002/anie.201504663

A charge neutral iron(II) complex with an above room temperature spin crossover (SCO) and hysteresis loop
Kumar, K. S.; Salitros, I.; Heinrich, B.; Fuhr, O.; Ruben, M.
2015. Journal of materials chemistry / C, 3 (44), 11635–11644. doi:10.1039/C5TC02079D

Modulating the charge injection in organic field-effect transistors: Fluorinated oligophenyl self-assembled monolayers for high work function electrodes
Fenwick, O.; Van Dyck, C.; Murugavel, K.; Cornil, D.; Reinders, F.; Haar, S.; Mayor, M.; Cornil, J.; Samori, P.
2015. Journal of materials chemistry / C, 3 (13), 3007–3015. doi:10.1039/C5TC00243E

Exchange bias of TbPc₂ molecular magnets on antiferromagnetic FeMn and ferromagnetic Fe films
Nistor, C.; Krull, C.; Mugarza, A.; Stepanow, S.; Stamm, C.; Soares, M.; Klyatskaya, S.; Ruben, M.; Gambardella, P.
2015. Physical review / B, 92 (18), 184402/1–7. doi:10.1103/PhysRevB.92.184402

Photoluminescence spectroscopy of mass-selected electrosprayed ions embedded in cryogenic rare-gas matrixes
Kern, B.; Greisch, J. F.; Strelnikov, D.; Weis, P.; Böttcher, A.; Ruben, M.; Schäfer, B.; Schooss, D.; Kappes, M. M.
2015. Analytical chemistry, 87 (23), 11901–11906. doi:10.1021/acs.analchem.5b03491

Effect of adduct formation with molecular nitrogen on the measured collisional cross sections of transition metal-1,10-phenanthroline complexes in traveling wave ion-mobility spectrometry: N2 is not always an "inert" buffer gas
Rijs, N. J.; Weiske, T.; Schlangen, M.; Schwarz, H.
2015. Analytical chemistry, 87, 9769–9776. doi:10.1021/acs.analchem.5b01985

Multiparticle moves in acceptance rate optimized Monte Carlo
Neumann, T.; Danilov, D.; Wenzel, W.
2015. Journal of computational chemistry, 36 (30), 2236–2245. doi:10.1002/jcc.24205

Experimental and theoretical study of phase separation in ZnPc:C₆₀ blends
Mönch, T.; Sherkar, T. S.; Koster, L. J. A.; Friederich, P.; Riede, M.; Formanek, P.; Koerner, C.; Vandewal, K.; Wenzel, W.; Leo, K.
2015. Organic electronics, 27, 183–191. doi:10.1016/j.orgel.2015.09.023

Single-molecule spin switch based on voltage-triggered distortion of the coordination sphere
Harzmann, G. D.; Frisenda, R.; Van Der Zant, H. S. J.; Mayor, M.
2015. Angewandte Chemie / International edition, 54 (45), 13425–13430. doi:10.1002/anie.201505447

Experimental and theoretical investigations of the electronic band structure of metal-organic frameworks of HKUST-1 type
Gu, Z. G.; Heinke, L.; Wöll, C.; Neumann, T.; Wenzel, W.; Li, Q.; Fink, K.; Gordan, O. D.; Zahn, D. R. T.
2015. Applied physics letters, 107 (18), 183301/1–6. doi:10.1063/1.4934737

Synthetic molecular motors: Thermal N inversion and directional photoinduced C=N Bond Rotation of Camphorquinone Imines
Greb, L.; Eichhöfer, A.; Lehn, J. M.
2015. Angewandte Chemie / International edition, 54 (48), 14345–14348. doi:10.1002/anie.201506691

Magnetic interactions in a Series of homodinuclear lanthanide complexes
Großhauser, M.; Klingeler, R.; Koo, C.; Lan, Y.; Müller, D.; Park, J.; Powell, A.; Riley, M. J.; Wadepohl, H.
2015. Inorganic chemistry, 54 (23), 11247–11258. doi:10.1021/acs.inorgchem.5b01673

Dinuclear lanthanide(III)/zinc(II) complexes with methyl 2-pyridyl ketone oxime
Anastasiadis, N. C.; Polyzou, C. D.; Kostakis, G. E.; Bekiari, V.; Lan, Y.; Perlepes, S. P.; Konidaris, K. F.; Powell, A. K.
2015. Dalton transactions, 44, 19791–19795. doi:10.1039/C5DT03663A

GW100 : Benchmarking G₀W₀ for molecular systems
Setten, M. J. van; Caruso, F.; Sharifzadeh, S.; Ren, X.; Scheffler, M.; Liu, F.; Lischner, J.; Lin, L.; Deslippe, J. R.; Louie, S. G.; Yang, C.; Weigend, F.; Neaton, J. B.; Evers, F.; Rinke, P.
2015. Journal of chemical theory and computation, 11 (12), 5665–5687. doi:10.1021/acs.jctc.5b00453

Off-diagonal self-energy terms and partially self-consistency in GW calculations for single molecules: Efficient implementation and quantitative effects on ionization potentials
Kaplan, F.; Weigend, F.; Evers, F.; Setten, M. J. van
2015. Journal of chemical theory and computation, 11 (11), 5152–5160. doi:10.1021/acs.jctc.5b00394

Magnetic interplay between two different lanthanides in a tris-phthalocyaninato complex: a viable synthetic route and detailed investigation in the bulk and on the surface
Lan, Y.; Klyatskaya, S.; Ruben, M.; Fuhr, O.; Wernsdorfer, W.; Candini, A.; Corradini, V.; Lodi Rizzini, A.; Del Pennino, U.; Troiani, F.; Joly, L.; Klar, D.; Wende, H.; Affronte, M.
2015. Journal of materials chemistry / C, 3 (38), 9794–9801. doi:10.1039/c5tc02011e

Retraction
Mahato, R. N.; Lülf, H.; Siekman, M. H.; Kersten, S. P.; Bobbert, P. A.; Jong, M. P. de; De Cola, L.; Wiel, W. G. van der
2015. Science, 350 (6257), 170. doi:10.1126/science.350.6257.170-a

Fast Atomic Charge Calculation for Implementation into a Polarizable Force Field and Application to an Ion Channel Protein
Witter, R.; Möllhoff, M.; Koch, F.-T.; Sternberg, U.
2015. Journal of Chemistry, 908204/1–14. doi:10.1155/2015/908204

{μ-PbSe}: A heavy CO homologue as an unexpected ligand
Thiele, G.; Franzke, Y.; Weigend, F.; Dehnen, S.
2015. Angewandte Chemie / International edition, 54, 11283–11288. doi:10.1002/anie.201504863

Luminescence in phosphine-stabilized copper chalcogenide cluster molecules - A comparative study
Eichhöfer, A.; Buth, G.; LEbedkin, S.; Kühn, M.; Weigend, F.
2015. Inorganic chemistry, 54, 9413–9422. doi:10.1021/acs.inorgchem.5b01146

Self-assembly of bis(phthalocyaninato)terbium on metal surfaces
Deng, Z.; Rauschenbach, S.; Stepanow, S.; Klyatskaya, S.; Ruben, M.; Kern, K.
2015. Physica scripta, 90 (9), 098003/1–9. doi:10.1088/0031-8949/90/9/098003

Syntheses, structures and theoretical investigations of [Au₁₀S₂(PPh₂)₂(dppma2)₄(dppma3)] · [Au₆S₂(dppma2)₂(dppma3)]
Yu, W.; Guggolz, L.; Fuhr, O.; Fenske, D.; Dehnen, S.
2015. Dalton transactions, 44, 9363–9366. doi:10.1039/C5DT01360G

Tetranuclear and pentanuclear compounds of the rare-earth metals: Synthesis and magnetism
Yadav, M.; Mondal, A.; Mereacre, V.; Jana, S. K.; Powell, A. K.; Roesky, P. W.
2015. Inorganic chemistry, 54, 7846–7856. doi:10.1021/acs.inorgchem.5b00899

Synthesis, structure and thermal decomposition of the bismuth silyltellurolate Bi(TeSitBu₂Ph)₃
Traut, S.; Stahl, S.; Eichhöfer, A.; Hänisch, C. von
2015. Zeitschrift für anorganische und allgemeine Chemie, 641, 1200–1202. doi:10.1002/zaac.201400558

On reduction of the drug diflunisal in non-aqueous media
Tiribilli, C.; Sokolova, R.; Giannarelli, S.; Valasek, M.
2015. Monatshefte für Chemie, 146, 807–812. doi:10.1007/s00706-014-1390-7

Impact of the extended 1,1’-Bipyridinium structure on the electron transfer and π-dimer formation. Spectroelectrochemical and computational study
Tarabek, J.; Kolivoska, V.; Gal, M.; Pospisil, L.; Valasek, M.; Kaminsky, J.; Hromadova, M.
2015. The journal of physical chemistry <Washington, DC> / C, 119, 18056–18065. doi:10.1021/acs.jpcc.5b04388

Laser-induced acoustic desorption of natural and functionalized biochromophores
Sezer, U.; Wörner, L.; Horak, J.; Felix, L.; Tüxen, J.; Götz, C.; Vaziri, A.; Mayor, M.; Arndt, M.
2015. Analytical chemistry, 87, 5614–5619. doi:10.1021/acs.analchem.5b00601

Synthesis and photophysical properties of GemPhos noble metal complexes
Sarcher, C.; Bestgen, S.; Falk, F. C.; Lebedkin, S.; Paradies, J.; Roesky, P. W.
2015. Journal of organometallic chemistry, 795, 11–17. doi:10.1016/j.jorganchem.2015.02.033

Molecular materials - towards quantum properties
Ruben, M.
2015. Beilstein journal of nanotechnology, 6, 1485–1486. doi:10.3762/bjnano.6.153

Generalized effective-medium model for the carrier mobility in amorphous organic semiconductors
Rodin, V.; Symalla, F.; Meded, V.; Friederich, P.; Danilov, D.; Poschlad, A.; Nelles, G.; Wrochem, F. von; Wenzel, W.
2015. Physical Review B, 91 (15), Article no: 155203. doi:10.1103/PhysRevB.91.155203

Tuning the magneto-optical response of TbPc₂ single molecule magnets by the choice of the substrate
Robaschik, P.; Fronk, M.; Toader, M.; Klyatskaya, S.; Ganss, F.; Siles, P. F.; Schmidt, O. G.; Albrecht, M.; Hietschold, M.; Ruben, M.; Zahn, D. R. T.; Salvan, G.
2015. Journal of materials chemistry / C, 3, 8039–8049. doi:10.1039/C5TC01520K

Coordination cluster nuclearity decreases with decreasing rare earth ionic radius in 1:1 Cr/Ln N -butyldiethanolamine compounds: A journey across the lanthanide series from CrIII₄La₄-CrIII₄Tb₄ via CrIII₃Dy₃ and CrIII₃Ho₃ to CrIII₂Er₂-CrIII₂Lu₂
Rinck, J.; Lan, Y.; Anson, C. E.; Powell, A. K.
2015. Inorganic chemistry, 54, 3107–3117. doi:10.1021/ic502930p

Toward fast and accurate evaluation of charge on-site energies and transfer integrals in supramolecular architectures using linear constrained density functional theory (CDFT)-based methods
Ratcliff, L. E.; Grisanti, L.; Genovese, L.; Deutsch, T.; Neumann, T.; Danilov, D.; Wenzel, W.; Beljonne, D.; Cornil, J.
2015. Journal of chemical theory and computation, 11, 2077–2086. doi:10.1021/acs.jctc.5b00057

Au nanoparticle scaffolds modulating intermolecular interactions among the conjugated azobenzenes chemisorbed on curved surfaces: Tuning the kinetics of cis-trans isomerisation
Raimondo, C.; Kenens, B.; Reinders, F.; Mayor, M.; Uji-I, H.
2015. Nanoscale, 7, 13836–13839. doi:10.1039/C5NR03688G

Squashed {Fe₂IIIM₄III} octahedra (M = Y, Gd, Dy) from the first use of the cyanoacetate ligand in 3d/4f coordination chemistry
Polyzou, C. D.; Baniodeh, A.; Magnani, N.; Mereacre, V.; Zill, N.; Anson, C. E.; Perlepes, S. P.; Powell, A. K.
2015. RSC Advances, 5, 10763–10767. doi:10.1039/C4RA15458D

Activation enthalpies and entropies of the atropisomerization of substituted butyl-bridged biphenyls
Bihlmeier, A.; Rotzler, J.; Rickhaus, M.; Mayor, M.; Klopper, W.
2015. Physical chemistry, chemical physics, 17, 11165–11173. doi:10.1039/C4CP06009A

Di- And trinuclear gold complexes of diphenylphosphinoethyl-functionalised imidazolium salts and their N-heterocyclic carbenes: Synthesis and photophysical properties
Bestgen, S.; Garner, M. T.; Lebedkin, S.; Kapes, M. M.; Roesky, P. W.
2015. Chemistry - a European journal, 21, 601–614. doi:10.1002/chem.201404985

An approach to more accurate model systems for purple acid phosphatases (PAPs)
Bernhardt, P. V.; Bosch, S.; Comba, P.; Gahan, L. R.; Hanson, G. R.; Mereacre, V.; Noble, C. J.; Powell, A. K.; Schenk, G.; Wadepohl, H.
2015. Inorganic chemistry, 54, 7249–7263. doi:10.1021/acs.inorgchem.5b00628

Mirrorless dye doped ionic liquid lasers
Barna, V.; De Cola, L.
2015. Optics express, 23, 11936–11945. doi:10.1364/OE.23.011936

Ligand field variations: Tuning the toroidal moment of Dy₆ rings
Baniodeh, A.; Magnani, N.; Bräse, S.; Anson, C. E.; Powell, A. K.
2015. Dalton transactions, 44, 6343–6347. doi:10.1039/C5DT00237K

Recent advances in phosphorescent Pt (II) complexes featuring metallophilic interactions: Properties and applications
Aliprandi, A.; Genovese, D.; Mauro, M.; De Cola, L.
2015. Chemistry letters, 44, 1152–1169. doi:10.1246/cl.150592

Sterically hindered luminescent PtII-Phosphite complexes for electroluminescent devices
Mydlak, M.; Yang, C. H.; Polo, F.; Galstyan, A.; Daniliuc, C. G.; Felicetti, M.; Leonhardt, J.; Strassert, C. A.; De Cola, L.
2015. Chemistry - a European journal, 21 (13), 5165–5172. doi:10.1002/chem.201405839

A strongly spin-frustrated FeIII₇ complex with a canted intermediate spin ground state of S=7/2 or 9/2
Mondal, K. C.; Mereacre, V.; Kostakis, G. E.; Lan, Y.; Anson, C. E.; Prisecaru, I.; Waldmann, O.; Powell, A. K.
2015. Chemistry - a European journal, 21 (30), 10835–10842. doi:10.1002/chem.201500841

A temperature induced ferrocene-ferrocenium interconversion in a ferrocene functionalized μ3-O chromium carboxylate
Mereacre, V.; Schlageter, M.; Powell, A. K.
2015. Journal of magnetism and magnetic materials, 381, 478–480. doi:10.1016/j.jmmm.2015.01.038

Ab initio study of the adsorption of small molecules on metal-organic frameworks with oxo-centered trimetallic building units: The role of the undercoordinated metal ion
Mavrandonakis, A.; Vogiatzis, K. D.; Boese, A. D.; Fink, K.; Heine, T.; Klopper, W.
2015. Inorganic chemistry, 54 (17), 8251–8263. doi:10.1021/acs.inorgchem.5b00689

Influence of the metal salt on the self-assembly of isophthaloylbis-β-alanine and Cu(II) ion
Lymperopoulou, S.; Dokorou, V. N.; Tsipis, A. C.; Weidler, P. G.; Plakatouras, J. C.; Powell, A. K.; Kostakis, G. E.
2015. Polyhedron, 89, 313–321. doi:10.1016/j.poly.2015.01.023

Approaching the limit of CuII/CuI mixed valency in a CuIBr₂-N-methylquinoxalinium hybrid compound
Leblanc, N.; Sproules, S.; Pasquier, C.; Auban-Senzier, P.; Raffy, H.; Powell, A. K.
2015. Chemical communications, 51 (64), 12740–12743. doi:10.1039/C5CC04142B

Highly luminescent charge-neutral europium(III) and terbium(III) complexes with tridentate nitrogen ligands
Kumar, S. K.; Schäfer, B.; Lebedkin, S.; Karmazin, L.; Kappes, M. M.; Ruben, M.
2015. Dalton transactions, 44 (35), 15611–15619. doi:10.1039/C5DT02186C

A magnetically highly frustrated CuII₂₇ coordination cluster containing a Cu₁₈ folded-sheet motif
Kühne, I. A.; Kostakis, G. E.; Anson, C. E.; Powell, A. K.
2015. Chemical communications, 51 (13), 2702–2705. doi:10.1039/C4CC09469G

Stereoselective formation of coordination polymers with 1,4-diaminonaphthalene on various Cu substrates
Knor, M.; Gao, H. Y.; Amirjalayer, S.; Studer, A.; Gao, H.; Du, A.; Fuchs, H.
2015. Chemical communications, 51 (54), 10854–10857. doi:10.1039/C5CC03130C

Tetradecanuclear Iron(III)-Oxo nanoclusters stabilized by trilacunary heteropolyanions
Ibrahim, M.; Haider, A.; Xiang, Y.; Bassil, B. S.; Carey, A. M.; Rullik, L.; Jameson, G. B.; Doungmene, F.; Mbomekalle, I. M.; De Oliveira, P.; Mereacre, V.; Kostakis, G. E.; Powell, A. K.; Kortz, U.
2015. Inorganic chemistry, 54 (13), 6136–6146. doi:10.1021/acs.inorgchem.5b00124

Multi-modal sensing in spin crossover compounds
Gentili, D.; Demitri, N.; Schäfer, B.; Liscio, F.; Bergenti, I.; Ruani, M.; Ruben, M.; Cavallini, M.
2015. Journal of materials chemistry / C, 3 (30), 7836–7844. doi:10.1039/C5TC00845J

In-plane Van der Waals interactions of molecular self-assembly monolayer
Gao, H. Y.; Wagner, H.; Held, P. A.; Du, S.; Gao, H. J.; Studer, A.; Fuchs, H.
2015. Applied Physics Letters, 106 (8), 081606/1–5. doi:10.1063/1.4907777

New 4,4’-Bis(9-carbazolyl)-biphenyl derivatives with locked carbazole-biphenyl junctions: High-triplet state energy materials
Gantenbein, M.; Hellstern, M.; Le Pleux, L.; Neuburger, M.; Mayor, M.
2015. Chemistry of materials, 27 (5), 1772–1779. doi:10.1021/cm5045754

QM/QM approach to model energy disorder in amorphous organic semiconductors
Friederich, P.; Meded, V.; Symalla, F.; Elstner, M.; Wenzel, W.
2015. Journal of chemical theory and computation, 11 (2), 560–567. doi:10.1021/ct501023n

Reduction of Mn-19 coordination Clusters on a Gold surface
Dreiser, J.; Ako, A. M.; Wackerlin, C.; Heidler, J.; Anson, C. E.; Powell, A. K.; Piamonteze, C.; Nolting, F.; Rusponi, S.; Brune, H.
2015. The journal of physical chemistry <Washington, DC> / C, 119 (7), 3550–3555. doi:10.1021/jp510240b

Developing a "highway Code" to steer the structural and electronic properties of FeIII/DyIII coordination clusters
Chen, S.; Mereacre, V.; Prodius, D.; Kostakis, G. E.; Powell, A. K.
2015. Inorganic chemistry, 54 (7), 3218–3227. doi:10.1021/ic502809y

Alkynyl-functionalized gold NHC complexes and their coinage metal clusters
Kiefer, C.; Bestgen, S.; Gamer, M. T.; Lebedkin, S.; Kappes, M. M.; Roesky, P. W.
2015. Dalton Transactions, 44 (30), 13662–13670. doi:10.1039/c5dt02228b

Spin transition in arrays of gold nanoparticles and spin crossover molecules
Devid, E. J.; Martinho, P. N.; Kamalakar, M. V.; Salitros, I.; Prendergast, U.; Dayen, J. F.; Meded, V.; Lemma, T.; Gonzalez-Prieto, R.; Evers, F.; Keyes, T. E.; Ruben, M.; Doudin, B.; Molen, S. J. van der
2015. ACS nano, 9 (4), 4496–4507. doi:10.1021/acsnano.5b01103

Magnetic interaction between a radical spin and a single-molecule magnet in a molecular spin-valve
Urdampilleta, M.; Klyatskaya, S.; Ruben, M.; Wernsdorfer, W.
2015. ACS Nano, 9, 4458–4464. doi:10.1021/acsnano.5b01056

Charge carrier mobility and electronic properties of Al(Op)₃: Impact of excimer formation
Magri, A.; Friederich, P.; Schäfer, B.; Fattori, V.; Sun, X.; Strunk, T.; Meded, V.; Hueso, L. E.; Wenzel, W.; Ruben, M.
2015. Beilstein journal of nanotechnology, 6 (1), 1107–1115. doi:10.3762/bjnano.6.112

Kondo effect in binuclear metal-organic complexes with weakly interacting spins
Zhang, L.; Bagrets, A.; Xenioti, D.; Korytar, R.; Schackert, M.; Miyamachi, T.; Schramm, F.; Fuhr, O.; Chandrasekar, R.; Alouani, M.; Ruben, M.; Wulfhekel, W.; Evers, F.
2015. Physical review / B, 91, 195424/1–11. doi:10.1103/PhysRevB.91.195424

Bi- and trimetallic rare-earth-palladium complexes ligated by phosphinoamides
Völcker, F.; Mück, F. M.; Vogiatzis, D.; Fink, K.; Roesky, P. W.
2015. Chemical communications, 51, 11761–11764. doi:10.1039/C5CC03944D

Tris(3,5-dimethylpyrazolyl)methane-based heterobimetallic complexes that contain Zn- And Cd-transition-metal bonds: Synthesis, structures, and quantum chemical calculations
Meyer, J.; Gonzalez-Gallardo, S.; Hohnstein, S.; Garnier, D.; Armbruster, M. K.; Fink, K.; Klopper, W.; Breher, F.
2015. Chemistry - a European journal, 21 (7), 2905–2914. doi:10.1002/chem.201405397

Coupled-cluster reference values for the GW27 and GW100 test sets for the assessment of GW methods
Krause, K.; Harding, M. E.; Klopper, W.
2015. Molecular Physics, 113, 1952–1960. doi:10.1080/00268976.2015.1025113

One-electron energies from the two-component GW method
Kühn, M.; Weigend, F.
2015. Journal of chemical theory and computation, 11 (3), 969–979. doi:10.1021/ct501069b

Two-component hybrid time-dependent density functional theory within the Tamm-Dancoff approximation
Kühn, M.; Weigend, F.
2015. The journal of chemical physics, 142 (3), 034116/1–9. doi:10.1063/1.4905829

[(Pb₆I₈){Mn(CO)₅}₆]²⁻: An octahedral (M₆X₈)-like cluster with inverted bonding
Wolf, S.; Reiter, K.; Weigend, F.; Klopper, W.; Feldmann, C.
2015. Inorganic chemistry, 54, 3989–3994. doi:10.1021/acs.inorgchem.5b00170

[V@GeAs] and [Nb@GeAs]: Encapsulation of electron-poor transition metal atoms
Mitzinger, S.; Broeckaert, L.; Massa, W.; Weigend, F.; Dehnen, S.
2015. Chemical communications, 51 (18), 3866–3869. doi:10.1039/c4cc10086g

Simple but effective: Thermally stable Cu-ESiMe3via NHC ligation
Fard, M. A.; Weigend, F.; Corrigan, J. F.
2015. Chemical communications, 51 (39), 8361–8364. doi:10.1039/c5cc00940e

The hyperfine structure in the rotational spectra of D₂¹⁷O and HD¹⁷O: Confirmation of the absolute nuclear magnetic shielding scale for oxygen
Puzzarini, C.; Cazzoli, G.; Harding, M. E.; Vazquez, J.; Gauss, J.
2015. The journal of chemical physics, 142, 124308/1–9. doi:10.1063/1.4916068

Millimeter- and submillimeter-wave spectroscopy of disulfur dioxide, OSSO
Martin-Drumel, M. A.; Wijngaarden, J. van; Zingsheim, O.; Lewen, F.; Harding, M. E.; Schlemmer, S.; Thorwirth, S.
2015. Journal of molecular spectroscopy, 307, 33–39. doi:10.1016/j.jms.2014.11.007

Synthesis, characterization, monolayer assembly and 2D lanthanide coordination of a linear terphenyl-di(propiolonitrile) linker on Ag(111)
Chen, Z.; Klyatskaya, S.; Urgel, J. I.; Ecija, D.; Fuhr, O.; Auwärter, W.; Barth, J. V.; Ruben, M.
2015. Beilstein journal of nanotechnology, 6, 327–335. doi:10.3762/bjnano.6.31

Peptoid-ligated pentadecanuclear yttrium and dysprosium hydroxy clusters
Thielemann, D. T.; Wagner, A. T.; Lan, Y.; Ona-Burgos, P.; Fernandez, I.; Rösch, E. S.; Kölmel, D. K.; Powell, A. K.; Bräse, S.; Roesky, P. W.
2015. Chemistry - a European journal, 21, 2813–2820. doi:10.1002/chem.201405569

Mononuclear and tetranuclear compounds of yttrium and dysprosium ligated by a salicylic Schiff-base derivative: Synthesis, photoluminescence, and magnetism
Yadav, M.; Mereacre, V.; Lebedkin, S.; Kappes, M. M.; Powell, A. K.; Roesky, P. W.
2015. Inorganic chemistry, 54, 773–781. doi:10.1021/ic5014957

Size-Dependent Oxidation of Monodisperse Silicon Nanocrystals with Allylphenylsulfide Surfaces
Rinck, J.; Schray, D.; Kübel, C.; Powell, A. K.; Ozin, G. A.
2015. Small, 11, 335–340. doi:10.1002/smll.201401965

Through the maze: Cross-coupling pathways to a helical hexaphenyl ’Geländer’ molecule
Rickhaus, M.; Bannwart, L. M.; Unke, O.; Gsellinger, H.; Häussinger, D.; Mayor, M.
2015. European Journal of Organic Chemistry, (4), 786–801. doi:10.1002/ejoc.201403322

Stability of high-mass molecular libraries: the role of the oligoporphyrin core
Sezer, U.; Schmid, P.; Felix, L.; Mayor, M.; Arndt, M.
2015. Journal of mass spectrometry, 50, 235–239. doi:10.1002/jms.3526

Ionic-radius-driven selection of the main-group-metal cage for intermetalloid clusters [Ln@PbₓBi₁₄₋ₓ] and [Ln@PbBi] (x/q=7/4, 6/3; y/q=4/4, 3/3)
Ababei, R.; Massa, W.; Weinert, B.; Pollak, P.; Xie, X.; Clerac, R.; Weigend, F.; Dehnen, S.
2015. Chemistry - a European journal, 21, 386–394. doi:10.1002/chem.201404904

Bis(phthalocyaninato) lanthanide(lll) complexes - from molecular magnetism to spintronic devices
Lan, Y.; Klyatskaya, S.; Ruben, M.
2015. Layfield, R.A. [Hrsg.] Lanthanides and Actinides in Molecular Magnetism Weinheim : Wiley-VCH, 2015, 223–292

C-O bond activation and subsequent decarbonylation of ester promoted by Fe(PMe₃)₄
Lu, Y.; Li, X.; Wang, L.; Sun, H.
2014. Inorganic chemistry communications, 41, 51–53. doi:10.1016/j.inoche.2013.12.026

Reactivity of mer-hydrido(2-mercaptobenzoyl)-tris(trimethylphosphine)cobalt(III) complex
Niu, Q.; Sun, H.; Wang, L.; Hu, Q.; Li, X.
2014. Dalton transactions, 43 (10), 4059–4066. doi:10.1039/C3DT52519H

Nuclear magnetic resonance relaxivities: Investigations of ultrahigh-spin lanthanide clusters from 10 MHz to 1.4 GHz
Machado, J. R.; Baniodeh, A.; Powell, A. K.; Luy, B.; Krämer, S.; Guthausen, G.
2014. ChemPhysChem, 15, 3608–3613. doi:10.1002/cphc.201402318

Structural modification and self-assembly of nanoscale magnetite synthesised in the presence of an anionic surfactant
Malik, S.; Hewitt, I. J.; Powell, A. K.
2014. The European physical journal / Web of Conferences, 75, 05005/1–4. doi:10.1051/epjconf/20147505005

Accurate atomization energies from combining coupled-cluster computations with interference-corrected explicitly correlated second-order perturbation theory
Vogiatzis, K. D.; Haunschild, R.; Klopper, W.
2014. Theoretical chemistry accounts, 133 (3), Art.Nr. 1446. doi:10.1007/s00214-014-1446-0

Turbomole
Furche, F.; Ahlrichs, R.; Hättig, C.; Klopper, W.; Sierka, M.; Weigend, F.
2014. Wiley interdisciplinary reviews / Computational Molecular Science, 4 (2), 91–100. doi:10.1002/wcms.1162

Characterization of nonanuclear europium and gadolinium complexes by gas-phase luminescence spectroscopy
Greisch, J.-F.; Harding, M. E.; Schäfer, B.; Ruben, M.; Klopper, W.; Kappes, M. M.; Schooss, D.
2014. The journal of physical chemistry letters, 5 (10), 1727–1731. doi:10.1021/jz500614x

Effect of proton substitution by alkali ions on the fluorescence emission of rhodamine B cations in the gas phase
Greisch, J.-F.; Harding, M. E.; Klopper, W.; Kappes, M. M.; Schooss, D.
2014. The journal of physical chemistry <Washington, DC> / A, 118 (21), 3787–3794. doi:10.1021/jp502833c

Ion Mobility Spectrometry, Infrared Dissociation Spectroscopy, and ab Initio Computations toward Structural Characterization of the Deprotonated Leucine-Enkephalin Peptide Anion in the Gas Phase
Schinle, F.; Jacob, C. R.; Wolk, A. B.; Greisch, J.-F.; Vonderach, M.; Weis, P.; Hampe, O.; Johnson, M. A.; Kappes, M. M.
2014. The journal of physical chemistry <Washington, DC> / A, 118 (37), 8453–8463. doi:10.1021/jp501772d

Thermally activated D2 emission upon decomposition of thin deuterofullerene films on Au(111)
Ulas, S.; Malik, S.; Böttcher, A.; Kappes, M. M.
2014. Journal of Physical Chemistry C, 118 (13), 6788–6798. doi:10.1021/jp411972r

Structures of medium-sized ruthenium clusters: The octahedral motif
Waldt, E.; Ahlrichs, R.; Kappes, M. M.; Schooss, D.
2014. ChemPhysChem, 15 (5), 862–865. doi:10.1002/cphc.201400011

Cu(II)- and Mn(III)-porphyrin-derived oligomeric multianions: Structures and photoelectron spectra
Schwarz, U.; Vonderach, M.; Armbruster, M. K.; Fink, K.; Kappes, M. M.; Weis, P.
2014. The journal of physical chemistry <Washington, DC> / A, 118 (2), 369–379. doi:10.1021/jp411149e

Conformer-selective photoelectron spectroscopy of α-lactalbumin derived multianions in the gas phase
Vonderach, M.; Winghart, M.-O.; MacAleese, L.; Chirot, F.; Antoine, R.; Dugourd, P.; Weis, P.; Hampe, O.; Kappes, M. M.
2014. Physical chemistry, chemical physics, 16 (7), 3007–3013. doi:10.1039/c3cp54596b

Substitutional Photoluminescence Modulation in Adducts of an Europium Chelate with a Range of Alkali Metal Cations: a Gas-Phase Study
Greisch, J.-F.; Harding, M. E.; Schäfer, B.; Rotter, M.; Ruben, M.; Klopper, W.; Kappes, M. M.; Schooss, D.
2014. The journal of physical chemistry <Washington, DC> / A, 118 (1), 94–102. doi:10.1021/jp4086624

Phosphorescence lifetime of organic light-emitting diodes fromtwo-component time-dependent density functional theory
Kühn, M.; Weigend, F.
2014. The journal of chemical physics, 141, 224302/1–17. doi:10.1063/1.4902013

Coupling of single, double, and triple-decker metal-phthalocyanine complexes to ferromagnetic and antiferromagnetic substrates
Lodi Rizzini, A.; Krull, C.; Mugarza, A.; Balashov, T.; Nistor, C.; Piquerel, R.; Klyatskaya, S.; Ruben, M.; Sheverdyaeva, P. M.; Moras, P.; Carbone, C.; Stamm, C.; Miedema, P. S.; Thakur, P. K.; Sessi, V.; Soares, M.; Yakhou-Harris, F.; Cezar, J. C.; Stepanow, S.; Gambardella, P.
2014. Surface science, 630, 361–374. doi:10.1016/j.susc.2014.07.008

SLIM: An Improved Generalized Born Implicit Membrane Model
Setzler, J.; Seith, C.; Brieg, M.; Wenzel, W.
2014. Journal of computational chemistry, 35, 2027–2039. doi:10.1002/jcc.23717

Polymorphism dependent light induced spin transition
Salitros, I.; Pogany, L.; Ruben, M.; Bocaad, R.; Linerte, W.
2014. Dalton transactions, 43, 16584–16587. doi:10.1039/C4DT02421D

A heterometallic Fesup(I)sup(I)-Dysup(I)sup(I)sup(I) single-molecule magnet with a record anisotropy barrier
Liu, J. L.; Wu, J. Y.; Chen, Y. C.; Mereacre, V.; Powell, A. K.; Ungur, L.; Chibotaru, L. F.; Chen, X. M.; Tong, M. L.
2014. Angewandte Chemie / International edition, 53 (47), 12966–12970. doi:10.1002/anie.201407799

Bestowing structure upon the pores of a supramolecular network
Karamzadeh, B.; Eaton, T.; Cebula, I.; Torres, D. M.; Neuburger, M.; Mayor, M.; Buck, M.
2014. Chemical communications, 50, 14175–14178. doi:10.1039/C4CC05934D

Synthesis of highly fluoroalkyl-functionalized oligoporphyrin systems
Felix, L.; Sezer, U.; Arndt, M.; Mayor, M.
2014. European Journal of Organic Chemistry, 6884–6895. doi:10.1002/ejoc.201402816

Correlation between size of CoFe₂O₄ nanoparticles determined from experimental and calculated data by different mathematical models
Cozma, D. G.; Gherca, D.; Mihalcea, I.; Virlan, C.; Cornei, N.; Pui, A.
2014. Current Nanoscience, 10, 869–876. doi:10.2174/1573413710666140809010251

Controlled assembly and single electron charging of monolayer protected Au₁₄₄ clusters: an electrochemistry and scanning tunneling spectroscopy study
Bodappa, N.; Fluch, U.; Fu, Y.; Mayor, M.; Moreno-Garcia, P.; Siegenthalera, H.; Wandlowski, T.
2014. Nanoscale, 6, 15117–15126. doi:10.1039/C4NR03793F

A surface coordination network based on copper adatom trimers
Bebensee, F.; Svane, K.; Bombis, C.; Masini, F.; Klyatskaya, S.; Besenbacher, F.; Ruben, M.; Hammer, B.; Linderoth, T. R.
2014. Angewandte Chemie / International edition, 53, 12955–12959. doi:10.1002/anie.201406528

Inducing axial chirality in a ’Geländer’ oligomer by length mismatch of the oligomer strands
Rickhaus, M.; Bannwart, L. M.; Neuburger, M.; Gsellinger, H.; Zimmermann, K.; Häussinger, D.; Mayor, M.
2014. Angewandte Chemie / International edition, 53, 14587–14591. doi:10.1002/anie.201408424

Bi- and tetrametallic complexes of the noble metals with PNP-ligands
Sarcher, C.; Lebedkin, S.; Kappes, M. M.; Fuhr, O.; Roesky, P. W.
2014. Journal of Organometallic Chemistry, 751, 343–350. doi:10.1016/j.jorganchem.2013.05.016

Unraveling the influence of lanthanide ions on intra- and inter-molecular electronic processes in Fe₁₀Ln₁₀ nano-toruses
Baniodeh, A.; Liang, Y.; Anson, C. E.; Magnani, N.; Powell, A. K.; Unterreiner, A. N.; Seyfferle, S.; Slota, M.; Dressel, M.; Bogani, L.; Goß, K.
2014. Advanced functional materials, 24, 6280–6290. doi:10.1002/adfm.201400336

Extending DFT-based genetic algorithms by atom-to-place re-assignment via perturbation theory: A systematic and unbiased approach to structures of mixed-metallic clusters
Weigend, F.
2014. The journal of chemical physics, 141, 134103/1–6. doi:10.1063/1.4896658

Chromeno[2,3-c]pyrroles by one-pot multicomponent domino addition-amination reaction
Terzidis, M. A.; Tsiaras, V. G.; Drosos, N. M.; Kasapidou, P. M.; Stephanidou-Stephanatou, J.; Tsoleridis, C. A.; Buth, G.; Kostakis, G. E.
2014. Tetrahedron letters, 55, 5601–5604. doi:10.1016/j.tetlet.2014.08.048

Cloning, functional characterization, and remodeling of K₂sub(P)3.1 (TASK-1) potassium channels in a porcine model of atrial fibrillation and heart failure
Schmidt, C.; Wiedmann, F.; Langer, C.; Tristram, F.; Anand, P.; Wenzel, W.; Lugenbiel, P.; Schweizer, P. A.; Katus, H. A.; Thomas, D.
2014. Heart rhythm, 11, 1798–1805. doi:10.1016/j.hrthm.2014.06.020

Enhancement of spin relaxation in an FeDy₂Fe coordination cluster by magnetic fields
Peng, G.; Mereacre, V.; Kostakis, G. E.; Wolny, J. A.; Schünemann, V.; Powell, A. K.
2014. Chemistry - A European Journal, 20 (39), 12381–12384. doi:10.1002/chem.201403792

Coordination cluster analogues of the high-spin [Mn₁₉] system with functionalized 2,6-bis(hydroxymethyl)phenol ligands
Mameri, S.; Ako, A. M.; Yesil, F.; Hibert, M.; Lan, Y.; Anson, C. E.; Powell, A. K.
2014. European journal of inorganic chemistry, 2014 (26), 4326–4334. doi:10.1002/ejic.201402327

Electrochemical control of a non-covalent binding between ferrocene and beta-cyclodextrin
Kolivoska, V.; Mohos, M.; Pebelov, I. V.; Rohrbach, S.; Yoshida, K.; Hong, W. J.; Fu, Y. C.; Moreno-Garcia, P.; Meszaros, G.; Broekmann, P.; Hromadova, M.; Sokolova, R.; Valasek, M.; Wandlowski, T.
2014. Chemical communications, 50, 11757–11759. doi:10.1039/C4CC04102J

Superatomic orbitals under spin-orbit coupling
De-en, J.; Kühn, M.; Tang, Q.; Weigend, F.
2014. The journal of physical chemistry letters, 5, 3286–3289. doi:10.1021/jz501745z

Dynamic control of plasmon generation by an individual quantum system
Große, C.; Kabakchiev, A.; Lutz, T.; Froidevaux, R.; Schramm, F.; Ruben, M.; Etzkorn, M.; Schlickum, U.; Kuhnke, K.; Kern, K.
2014. Nano letters, 14, 5693–5697. doi:10.1021/nl502413k

Reactions of silver thiolates with bidentate phosphanes
Yang, X.; Issac, I.; Persau, C.; Ahlrichs, R.; Fuhr, O.; Fenske, D.
2014. Inorganica chimica acta, 421 (September), 233–245. doi:10.1016/j.ica.2014.05.037

Red-luminescent biphosphine stabilized ’Cu₁₂S₆’ cluster molecules
Yang, X. X.; Issac, I.; Lebedkin, S.; Kühn, M.; Weigend, F.; Fenske, D.; Fuhr, O.; Eichhöfer, A.
2014. Chemical communications, 50, 11043–11045. doi:10.1039/C4CC04702H

Synthesis of molecular tripods based on a rigid 9,9’-spirobifluorene scaffold
Valasek, M.; Edelmann, K.; Gerhard, L.; Fuhr, O.; Lukas, M.; Mayor, M.
2014. The journal of organic chemistry, 79, 7342–7357. doi:10.1021/jo501029t

Coupled nanomechanical motions: Metal-ion-effected, pH-modulated, simultaneous extension/contraction motions of double-domain helical/linear molecular strands
Stadler, A. M.; Lehn, J. M. P.
2014. Journal of the American Chemical Society, 136, 3400–3409. doi:10.1021/ja408752m

Cardiac expression and atrial fibrillation-associated remodeling of K₂sub(P)2.1 (TREK-1) K⁺ channels in a porcine model
Schmidt, C.; Wiedmann, F.; Tristram, F.; Anand, P.; Wenzel, W.; Lugenbiel, P.; Schweizer, P. A.; Katus, H. A.; Thomas, D.
2014. Life Sciences, 97, 107–115. doi:10.1016/j.lfs.2013.12.006

Znsup(I)sup(I)/pyridyloxime complexes as potential reactivators of OP-inhibited acetylcholinesterase: in vitro and docking simulation studies
Konidaris, K. F.; Dalkas, G. A.; Katsoulakou, E.; Pairas, G.; Raptopoulou, C. P.; Lamari, F. N.; Spyroulias, G. A.; Manessi-Zoupa, E.
2014. Journal of Inorganic Biochemistry, 134, 12–19. doi:10.1016/j.jinorgbio.2013.12.011

How counterions affect the solution structure of polyoxoaurates: insights from UV/Vis spectral simulations and electrospray mass spectrometry
Kondinski, A.; Vankova, N.; Schinle, F.; Jäger, P.; Hampe, O.; Kortz, U.; Heine, T.
2014. European Journal of Inorganic Chemistry, (23), 3771–3778. doi:10.1002/ejic.201402494

X-ray crystallographic analysis of a tailor-made bis(phthalocyaninato)-Tb single-molecule magnet as a fundamental unit for supramolecular spintronic devices
Klyatskaya, S.; Eichhöfer, A.; Wernsdorfer, W.
2014. European journal of inorganic chemistry, 2014 (25), 4179–4185. doi:10.1002/ejic.201402421

Self-assembly of a highly organized, hexameric supramolecular architecture: Formation, structure and properties
Schaeffer, G.; Fuhr, O.; Fenske, D.; Lehn, J. M.
2014. Chemistry - a European journal, 20 (1), 179–186. doi:10.1002/chem.201303186

Hysteretic behaviour in a vacuum deposited submonolayer of single ion magnets
Klar, D.; Candini, A.; Joly, L.; Klyatskaya, S.; Krumme, B.; Ohresser, P.; Kappler, J. P.; Ruben, M.; Wende, H.
2014. Dalton transactions, 43, 10686–10689. doi:10.1039/C4DT01005A

Single-molecule magnetism in a pentacoordinate Cobalt(II) complex supported by an antenna ligand
Rajnak, C.; Titis, J.; Fuhr, O.; Ruben, M.; Boca, R.
2014. Inorganic chemistry, 53, 8200–8202. doi:10.1021/ic501524a

The mixed gold-palladium polyoxo-noble-metalate [NaAusup(I)sup(I)sup(I)₄Pdsup(I)sup(I)₈O₈(AsO₄)₈]¹¹⁻
Izarova, N. V.; Kondinski, A.; Vankova, N.; Heine, T.; Jäger, P.; Schinle, F.; Hampe, O.; Kortz, U.
2014. Chemistry - a European journal, 20, 8556–8560. doi:10.1002/chem.201403032

A novel example of double 6-exo-trig heterocyclization: Nitrile conversion to new anticancer active (HeLa cells) primary amine ionic liquids
Prodius, D.; Sha, H. S.; Iqbal, J.; Macaeva, A.; Dimoglo, A.; Kostakis, G. E.; Zill, N.; Macaev, F.; Powell, A. K.
2014. Chemical communications, 50, 4888–4890. doi:10.1039/C3CC49759C

Dipolar ordering in a molecular nanomagnet detected using muon spin relaxation
Pratt, F. L.; Micotti, E.; Carretta, P.; Lascialfari, A.; Arosio, P.; Lancaster, T.; Blundell, S. J.; Powell, A. K.
2014. Physical review / B, 89, 144420/1–7. doi:10.1103/PhysRevB.89.144420

Multinuclear cobalt(II) containing heteropolytungstates: Structure, magnetism, and electrochemistry
Ibrahim, M.; Haider, A.; Lan, Y.; Bassil, B. S.; Carey, A. M.; Liu, R.; Zhang, G.; Keita, B.; Li, W.; Kostakis, G. E.; Powell, A. K.; Kortz, U.
2014. Inorganic chemistry, 53, 5179–5188. doi:10.1021/ic500298u

Synthesis, characterization and optical properties of a series of binuclear copper chalcogenolato complexes
Hu, B.; Su, C. Y.; Fenske, D.; Fuhr, O.
2014. Inorganica chimica acta, 419 (August), 118–123. doi:10.1016/j.ica.2014.05.009

A Uranium-Based UO₂⁺-Mn²⁺ single-chain magnet assembled through cation-cation interactions
Mougel, V.; Chatelain, L.; Hermle, J.; Caciuffo, R.; Colineau, E.; Tuna, F.; Magnani, N.; Geyer, A. de; Pecaut, J.; Mazzanti, M.
2014. Angewandte Chemie / International edition, 53, 819–823. doi:10.1002/anie.201307366

Spontaneous resolution in homochiral helical [Ln(nic)₂(Hnic)(NO₃)] coordination polymers constructed from a rigid non-chiral organic ligand
Mihalcea, I.; Zill, N.; Mereacre, V.; Anson, C. E.; Powell, A. K.
2014. Crystal growth & design, 19, 4729–4734. doi:10.1021/cg500827u

Self-assembly of a neutral platinum(II) complex into highly emitting microcrystalline fibers through metallophilic interactions
Mauro, M.; Aliprandi, A.; Cebrian, C.; Wang, D.; Kübel, C.; Cola, L. de
2014. Chemical communications, 50, 7269–7272. doi:10.1039/C4CC01045K

Energy transfer in aggregates of bacteriochlorophyll c self-assembled with azulene derivatives
Matenova, M.; Horhoiu, V. L.; Dang, F. X.; Pospisil, P.; Alster, J.; Burda, J. V.; Balaban, S. T.; Psencik, J.
2014. Physical chemistry, chemical physics, 16, 16755–16764. doi:10.1039/C4CP01311E

Light-induced reversible modification of the work function of a new perfluorinated biphenyl azobenzene chemisorbed on Au (111)
Masillamani, A. M.; Osella, S.; Liscio, A.; Fenwick, O.; Reinders, F.; Palermo, V.; Cornil, J.; Mayor, M.; Samori, P.
2014. Nanoscale, 6, 8969–8977. doi:10.1039/C4NR01880J

Reduction of rhenates(VII) with hydrogen chloride in alcohols: The structural aspects of the trans-tetrachloridomethoxidooxidorhenate(VI) products
Holynska, M.; Dehnen, S.; Weigend, F.; Lis, T.
2014. Inorganica chimica acta, 411, 26–29. doi:10.1016/j.ica.2013.11.010

An NCN-pincer ligand dysprosium single-ion magnet showing magnetic relaxation via the second excited state
Guo, Y.-N.; Ungur, L.; Granroth, G. E.; Powell, A. K.; Wu, C.; Nagler, S. E.; Tang, J.; Chibotaru, L. F.; Cui, D.
2014. Scientific Reports, 4, 5471. doi:10.1038/srep05471

Ab initio treatment of disorder effects in amorphous organic materials: toward parameter free materials simulation
Friederich, P.; Symalla, F.; Meded, V.; Neumann, T.; Wenzel, W.
2014. Journal of chemical theory and computation, 10, 3720–3725. doi:10.1021/ct500418f

Mechanically strong, fluorescent hydrogels from zwitterionic, fully π-conjugated polymers
Elmalem, E.; Biedermann, F.; Scherer, M. R. J.; Koutsioubas, A.; Toprakcioglu, C.; Biffi, G.; Huck, W. T. S.
2014. Chemical communications, 50, 8930–8933. doi:10.1039/C4CC03167A

Slow magnetic relaxation in trigonal-planar mononuclear Fe(II) and Co(II) bis(trimethylsilyl)amido complexes. A comparative study
Eichhöfer, A.; Lan, Y.; Mereacre, V.; Bodenstein, T.; Weigend, F.
2014. Inorganic chemistry, 53, 1962–1974. doi:10.1021/ic401677j

Trinuclear early/late-transition-metal thiolate
Eichhöfer, A.; Andrushko, V.; Bodenstein, T.; Fink, K.
2014. European Journal of Inorganic Chemistry, 3510–3520. doi:10.1002/ejic.201402069

Diastereoselective one-pot synthesis of novel ABCD-fused chromeno [2,3-d]pyrazolo[3,4-b]pyridines
Dimitriadou, E.; Stephanidou-Stephanatou, J.; Tsoleridis, C. A.; Hadjipavlou-Litina, D. J.; Kontogiorgis, C.; Kostakis, G. E.
2014. Tetrahedron, 70, 2938–2943. doi:10.1016/j.tet.2014.03.031

Synthesis of extended graphdiyne wires by vicinal surface templating
Cirera, B.; Zhang, Y. Q.; Björk, J.; Klyatskaya, S.; Chen, Z.; Ruben, M.; Barth, J. V.; Klappenberger, F.
2014. Nano letters, 14, 1891–1897. doi:10.1021/nl4046747

Convergent and divergent two-dimensional coordination networks formed through substrate-activated or quenched akynyl ligation
Cechal, J.; Kley, C. S.; Kumagai, T.; Schramm, F.; Ruben, M.; Stepanow, S.; Kern, K.
2014. Chemical communications, 50, 9973–9976. doi:10.1039/C4CC03723E

Synthesis and characterization of multinuclear manganese-containing tungstosilicates
Al-Oweini, R.; Bassil, B. S.; Friedl, J.; Kottisch, V.; Ibrahim, M.; Asano, M.; Keita, B.; Novitchi, G.; Lan, Y.; Powell, A.; Stimming, U.; Kortz, U.
2014. Inorganic chemistry, 53, 5663–5673. doi:10.1021/ic500425c

All-round robstness of the Mn₁₉ coordination cluster system: experimental validation of a theoretical prediction
Ako, A. M.; Lan, Y.; Hampe, O.; Cremades, E.; Ruiz, E.; Anson, C. E.; Powell, A. K.
2014. Chemical communications, 50, 5847–5850. doi:10.1039/C4CC01264J

An octanuclear {Cusup(I)sup(I)₄Dysup(I)sup(I)sup(I)₄} coordination cluster showing single molecule magnet behaviour from field accessible states
Kühne, I. A.; Magnani, N.; Mereacre, V.; Wernsdorfer, W.; Anson, C. E.; Powell, A. K.
2014. Chemical communications, 50 (15), 1882–1885. doi:10.1039/c3cc46458j

Meta-positioning f carbonitrile functional groups induces interfacial edge-on phase of oligophenyl derivatives
Marschall, M.; Reichert, J.; Diller, K.; Klyatskaya, S.; Ruben, M.; Nefedov, A.; Wöll, C.; Kantorovich, L. N.; Klappenberger, F.; Barth, J. V.
2014. The journal of physical chemistry <Washington, DC> / C, 118, 2622–2633. doi:10.1021/jp4118584

Dumbbells, trikes and quads: organic-inorganic hybrid nanoarchitectures based on ’clicked’ gold nanoparticles
Sander, F.; Fluch, U.; Hermes, J. P.; Mayor, M.
2014. Small, 10, 349–359. doi:10.1002/smll.201300839

Slow magnetic relaxation in four square-based pyramidal dysprosium hydroxo clusters ligated by chiral amino acid anions - a comparative study
Thielemann, D. T.; Wagner, A. T.; Lan, Y.; Anson, C. E.; Gamer, M. T.; Powell, A. K.; Roesky, P. W.
2013. Dalton transactions, 42 (41), 14794–14800. doi:10.1039/c3dt50133g

Slow magnetic relaxation in tris(diphosphanylamido) and tetra(phosphanoamido) dysprosium complexes
Völcker, F.; Lan, Y.; Powell, A. K.; Roesky, P. W.
2013. Dalton transactions, 42 (32), 11471–11475. doi:10.1039/c3dt51078f

Trinuclear nickel-lanthanide compounds
Bhunia, A.; Yadav, M.; Lan, Y.; Powell, A. K.; Menges, F.; Riehn, C.; Niedner-Schatteburg, G.; Jana, P. P.; Riedel, R.; Harms, K.; Dehnen, S.; Roesky, P. W.
2013. Dalton transactions, 42 (7), 2445–2450. doi:10.1039/c2dt31023f

Binding of O₂ and CO to metal porphyrin anions in the gas phase
Karpuschkin, T.; Kappes, M. M.; Hampe, O.
2013. Angewandte Chemie - International Edition, 52 (39), 10374–10377. doi:10.1002/anie.201303200

Fermi energy shift in deposited metallic nanotubes: A Raman scattering study
Hatting, B.; Heeg, S.; Ataka, K.; Heberle, J.; Hennrich, F.; Kappes, M. M.; Krupke, R.; Reich, S.
2013. Physical Review B - Condensed Matter and Materials Physics, 87 (16), 165442/1–5. doi:10.1103/PhysRevB.87.165442

On the structures of 55-atom transition-metal clusters and their relationship to the crystalline bulk
Rapps, T.; Ahlrichs, R.; Waldt, E.; Kappes, M. M.; Schooss, D.
2013. Angewandte Chemie - International Edition, 52 (23), 6102–6105. doi:10.1002/anie.201302165

Novel micro-Raman setup with tunable laser excitation for time-efficient resonance Raman microscopy and imaging
Stürzl, N.; Lebedkin, S.; Klumpp, S.; Hennrich, F.; Kappes, M. M.
2013. Analytical Chemistry, 85 (9), 4554–4559. doi:10.1021/ac4001833

Spectroscopic and theoretical investigations of adenosine 5′-diphosphate and adenosine 5′-triphosphate dianions in the gas phase
Schinle, F.; Crider, P. E.; Vonderach, M.; Weis, P.; Hampe, O.; Kappes, M. M.
2013. Physical chemistry, chemical physics, 15 (18), 6640–6650. doi:10.1039/c2cp43808a

Plasmons in molecules
Bernadotte, S.; Evers, F.; Jacob, C. R.
2013. Journal of Physical Chemistry C, 117 (4), 1863–1878. doi:10.1021/jp3113073

Benchmarking the lithium-thiophene complex
Harding, M. E.; Klopper, W.
2013. ChemPhysChem, 14 (4), 708–715. doi:10.1002/cphc.201200834

Intrinsic fluorescence properties of rhodamine cations in gas-phase: Triplet lifetimes and dispersed fluorescence spectra
Greisch, J.-F.; Harding, M. E.; Kordel, M.; Klopper, W.; Kappes, M. .. M.; Schooss, D.
2013. Physical chemistry, chemical physics, 15 (21), 8162–8170. doi:10.1039/c3cp44362k

A composite density fitting + numerical integration approximation for electron-repulsion integrals
Yachmenev, A.; Klopper, W.
2013. Molecular physics, 111 (9-11), 1129–1142. doi:10.1080/00268976.2013.800265

Systematic construction of complementary auxiliary basis sets from and for atomic natural orbitals
Harding, M. E.; Klopper, W.
2013. Molecular physics, 111 (16-17), 2585–2593. doi:10.1080/00268976.2013.829926

Catalytic subsurface etching of nanoscale channels in graphite
Lukas, M.; Meded, V.; Vijayaraghavan, A.; Song, L.; Ajayan, P. M.; Fink, K.; Wenzel, W.; Krupke, R.
2013. Nature Communications, 4, 1379. doi:10.1038/ncomms2399

Switching of a coupled spin pair in a single-molecule junction
Wagner, S.; Kisslinger, F.; Ballmann, S.; Schramm, F.; Chandrasekar, R.; Bodenstein, T.; Fuhr, O.; Secker, D.; Fink, K.; Ruben, M.; Weber, H. B.
2013. Nature Nanotechnology, 8 (8), 575–579. doi:10.1038/nnano.2013.133

A modified CAS-CI approach for an efficient calculation of magnetic exchange coupling constants
Fink, K.; Staemmler, V.
2013. Molecular Physics, 111 (16-17), 2594–2605. doi:10.1080/00268976.2013.804961

Ultrafast dynamics of meso-tetraphenylmetalloporphyrins: The role of dark states
Liang, Y.; Bradler, M.; Klinger, M.; Schalk, O.; Balaban, M. C.; Balaban, T. S.; Riedle, E.; Unterreiner, A.-N.
2013. ChemPlusChem, 78 (10), 1244–1251. doi:10.1002/cplu.201300143

Electron tunneling from electronically excited states of isolated bisdisulizole-derived trianion chromophores following UV absorption
Winghart, M.-O.; Yang, J.-P.; Kühn, M.; Unterreiner, A.-N.; Wolf, T. J. A.; Dau, P. D.; Liu, H.-T.; Huang, D.-L.; Klopper, W.; Wang, L.-S.; Kappes, M. M.
2013. Physical chemistry, chemical physics, 15 (18), 6726–6736. doi:10.1039/c3cp50497b

An efficient implementation of two-component relativistic exact-decoupling methods for large molecules
Peng, D.; Middendorf, N.; Weigend, F.; Reiher, M.
2013. Journal of Chemical Physics, 138 (18), 184105/1–14. doi:10.1063/1.4803693

Efficient two-component self-consistent field procedures and gradients: implementation in TURBOMOLE and application to Au₂₀⁻
Baldes, A.; Weigend, F.
2013. Molecular physics, 111 (16-17), 2617–2624. doi:10.1080/00268976.2013.802037

Unusual 14-electron fragments [Pd(η-Bi_x as pseudo lead atoms in closo-[Pd@PdPbBi]
Ababei, R.; Massa, W.; Harms, K.; Xie, X.; Weigend, F.; Dehnen, S.
2013. Angewandte Chemie / International edition, 52 (51), 13544–13548. doi:10.1002/anie.201307795

Implementation of two-component time-dependent density functional theory in TURBOMOLE
Kühn, M.; Weigend, F.
2013. Journal of Chemical Theory and Computation, 9 (12), 5341–5348. doi:10.1021/ct400743r

Heterobimetallic Cuprates Consisting of a Redox‐Switchable, Silicon‐Based Metalloligand : Synthesis, Structures, and Electronic Properties
Styra, S.; Gonzlez-Gallardo, S.; Armbruster, F.; Ona-Burgos, P.; Moos, E.; Vonderach, M.; Weis, P.; Hampe, O.; Grün, A.; Schmitt, Y.; Gerhards, M.; Menges, F.; Gaffga, M.; Niedner-Schatteburg, G.; Breher, F.
2013. Chemistry - a European journal, 19 (26), 8436–8446. doi:10.1002/chem.201300586

Asymptotic scattering and duality in the one-dimensional three-state quantum Potts model on a lattice
Rapp, Á.; Schmitteckert, P.; Takacs, G.; Zarand, G.
2013. New journal of physics, 15 (1), Art.Nr. 013058. doi:10.1088/1367-2630/15/1/013058

Ab initio simulations of scanning-tunneling-microscope images with embedding techniques and application to C₅₈-dimers on Au(111)
Wilhelm, J.; Walz, M.; Stendel, M.; Bagrets, A.; Evers, F.
2013. Physical Chemistry Chemical Physics, 15 (18), 6684–6690. doi:10.1039/c3cp44286a

Atomically Wired Molecular Junctions : Connecting a Single Organic Molecule by Chains of Metal Atoms
Yelin, T.; Vardimon, R.; Kuritz, N.; Korytár, R.; Bagrets, A.; Evers, F.; Kronik, L.; Tal, O.
2013. Nano letters, 13 (5), 1956–1961. doi:10.1021/nl304702z

Synthesis and catalytic activity of iron complexes with bidentate NHC ligands
Wu, J.; Dai, W.; Farnaby, J. H.; Hazari, N.; Le Roy, J. J.; Mereacre, V.; Murugesu, M.; Powell, A. K.; Takase, M. K.
2013. Dalton Transactions, 42, 7404–7413. doi:10.1039/C3DT32551B

The manganese(III)-containing tungstophosphate [Mnsup(I)sup(I)sup(I)₃(H₂O)₅(A-α-PW₉O₃₄)₂]⁹⁻
Al-Oweini, R.; Bassil, B. S.; Palden, T.; Keita, B.; Lan, Y.; Powell, A. K.; Kortz, U.
2013. Polyhedron, 52, 461–466. doi:10.1016/j.poly.2012.08.050

Magnetic properties of five planar defect dicubanes of [Lnsup(I)sup(I)sup(I)₄(μ₃-OH)₂(L)₄(HL)₂].2THF (Ln = Gd, Tb, Dy, Ho and Er)
Mondal, K. C.; Kostakis, G. E.; Lan, Y.; Powell, A. K.
2013. Polyhedron, 66, 268–273. doi:10.1016/j.poly.2013.05.016

Duplex structure facilitated by aqua ligand in a copper(II) coordination polymer
Nath, J. K.; Ian, Y.; Powell, A. K.; Baruah, J. B.
2013. Inorganic Chemistry Communications, 28, 81–84. doi:10.1016/j.inoche.2012.11.016

Synthesis, crystal structure, DNA binding, antibacterial, and cytotoxic activities of two chiral copper(II) complexes
Fei, B. L.; Li, W.; Xu, W. S.; Long, J. Y.; Liu, Q. B.; Sun, W. Y.; Anson, C. E.; Powell, A. K.
2013. European Journal of Inorganic Chemistry, 2013, 5919–5927. doi:10.1002/ejic.201300685

Effect of ancillary ligands in hydrolysis of 1,8-naphthalic anhydride for synthesis of metallacycles of Co²⁺, Ni²⁺, and Zn²⁺
Nath, J. K.; Lan, Y.; Powell, A. K.; Baruah, J. B.
2013. Zeitschrift für Anorganische und Allgemeine Chemie, 639, 2250–2257. doi:10.1002/zaac.201300255

Synthesis, structure, and magnetic study of two tridecanuclear planar cobalt clusters with unique core geometries
Peng, Y.; Tian, C. B.; Lan, Y. H.; Magnani, N.; Li, Q. P.; Zhang, H. B.; Powell, A. K.; Du, S. W.
2013. European Journal of Inorganic Chemistry, 2013, 5534–5540. doi:10.1002/ejic.201300860

Synthesis, structure and magnetic properties of hexanuclear Cosup(I)sup(I)sup(I)-Lnsup(I)sup(I)sup(I) clusters
Feuersenger, J.; Prodius, D.; Mereacre, V.; Clerac, R.; Anson, C. E.; Powell, A. K.
2013. Polyhedron, 66, 257–263. doi:10.1016/j.poly.2013.05.010

Rolling up the sheet: Constructing metal-organic lamellae and nanotubes from a [{Mn₃(propanediolato)₂}(dicyanamide)₂]sub(n) honeycomb skeleton
Wu, G.; Bai, J.; Jiang, Y.; Li, G.; Huang, J.; Li, Y.; Anson, C. E.; Powell, A. K.; Qiu, S.
2013. Journal of the American Chemical Society, 135, 18276–18279. doi:10.1021/ja409569q

Synthesis, crystal structure and magnetic studies of tetranuclear hydroxo and ligand bridged [Co₄(μ₃-OH)₂(μ₂-dea)₂(L-L)₄]4Cl.8H₂O [L-L = 2,2’-bipyridine or 1,10-phenanthroline] complexes with mixed valence defect dicubane core
Siddiqi, Z. A.; Siddique, A.; Shahid, M.; Khalid, M.; Sharma, P. K.; Ahmad, M.; Kumar, S.; Lan, Y.; Powell, A. K.
2013. Dalton Transactions, 42, 9513–9522. doi:10.1039/C3DT50854D

Temperature and magnetic field dependence of a Kondo system in the weak coupling regime
Zhang, Y. H.; Kahle, S.; Herden, T.; Stroh, C.; Mayor, M.; Schlickum, U.; Ternes, M.; Wahl, P.; Kern, K.
2013. Nature Communications, 4, 2110/1–6. doi:10.1038/ncomms3110

Azodicarboxylates: Valuable reagents for the multicomponent synthesis of novel 1,3,4-thiadiazoles and imidazo[2,1-b][1,3,4]thiadiazoles
Zarganes-Tzitzikas, T.; Neochoritis, C. G.; Stephanidou-Stephanatou, J.; Tsoleridis, C. A.; Buth, G.; Kostakis, G. E.
2013. Tetrahedron, 69, 5008–5015. doi:10.1016/j.tet.2013.03.096

Direct observation of the role of lanthanides in stabilizing a ferromagnetic spin orientation in a weak Fesup(I)sup(I)sup(I)-Fesup(I)sup(I)sup(I) antiferromagnet
Xiang, H.; Mereacre, V.; Lan, Y.; Lu, T. B.; Anson, C. E.; Powell, A. K.
2013. Chemical Communications, 49, 7385–7387. doi:10.1039/C3CC42416B

Sol immobilization technique: A delicate balance between activity, selectivity and stability of gold catalysts
Villa, A.; Wang, D.; Veith, G. M.; Vindigni, F.; Prati, L.
2013. Catalysis Science & Technology, 3, 3036–3041. doi:10.1039/C3CY00260H

Landau-Zener tunneling of a single Tb³⁺ magnetic moment allowing the electronic read-out of a nuclear spin
Urdampilleta, M.; Klyatskaya, S.; Ruben, M.; Wernsdorfer, W.
2013. Physical review / B, 87 (19), Art. Nr.: 195412. doi:10.1103/PhysRevB.87.195412

The bromine nuclear quadrupole moment revisited
Stopkowicz, S.; Cheng, L.; Harding, M. E.; Puzzarini, C.; Gauss, J.
2013. Molecular Physics, 111, 1382–1389. doi:10.1080/00268976.2013.796072

Large shape-persistent metal-invertible 15-Nsp²-donor-atom macrocycles functioning as trinucleating ligands
Stadler, A. M.; Jiang, J. J.; Wang, H. P.; Bailly, C.
2013. Chemical Communications, 49, 3784–3786. doi:10.1039/C2CC37260F

Places and chemistry: Mulhouse. Chemists in Werner’s birth city up to the 1st half of the 20th century
Stadler, A. M.; Harrowfield, J.; Ramirez, J.
2013. Polyhedron, 52, 1465–1470. doi:10.1016/j.poly.2013.01.022

Grid-double-helicate interconversion
Stadler, A. M.; Burg, C.; Ramirez, J.; Lehn, J. M.
2013. Chemical Communications, 49, 5733–5735. doi:10.1039/C3CC38580A

Modulation of the selectivity of Schiff base formation in mixtures of Two NH₂ compounds and one aldehyde or of two aldehydes and one amine
Stadler, A. M.
2013. Israel Journal of Chemistry, 53, 113–121. doi:10.1002/ijch.201300003

Tetradecanuclear lanthanide-vanadium ’nanochocolates’: Catalytically-active cationic heteropolyoxovanadium clusters
Simunekova, M.; Prodius, D.; Mereacre, V.; Schwendt, P.; Turta, C.; Bettinelli, M.; Speghini, A.; Lan, Y.; Anson, C. E.; Powell, A. K.
2013. RSC Advances, 3, 6299–6304. doi:10.1039/C3RA40385H

A self-assembled Cu(II)4 [2x2] grid with organic radicals
Shuvaev, K. V.; Sproules, S.; Rautiainen, J. M.; McInnes, E. J. L.; Collision, D.; Anson, C. E.; Powell, A. K.
2013. Dalton Transactions, 42, 2371–2381. doi:10.1039/C2DT31946B

Anti-PSMA antibody-coupled gold nanorods detection by optical and electron microscopies
Schol, D.; Fleron, M.; Greisch, J. F.; Jaeger, M.; Frenz, M.; Pauw, E. de; Pauw-Gillet, M. C. de
2013. Micron, 50, 68–74. doi:10.1016/j.micron.2013.05.003

Exact time-dependent density functional theory for impurity models
Schmitteckert, P.; Dzierzawac, M.; Schwab, P.
2013. Physical Chemistry Chemical Physics, 15, 5477–5481. doi:10.1039/C3CP44639E

Unprecedented chemical transformation: crystallographic evidence for 1,1,2,2-tetrahydroxyethane captured within an Fe₆Dy₃ single molecule magnet
Schmidt, S.; Prodius, D.; Mereacre, V.; Kostakis, G. E.; Powell, A. K.
2013. Chemical Communications, 49, 1696–1698. doi:10.1039/C2CC38006D

Single-photon ionization of organic molecules beyond 10 kDa
Schmid, P.; Stöhr, F.; Arndt, M.; Tüxen, J.; Mayor, M.
2013. Journal of The American Society for Mass Spectrometry, 24, 602–608. doi:10.1007/s13361-012-0551-3

Room temperature switching of a neutral molecular iron(II) complex
Schäfer, B.; Rajnak, C.; Salitros, I.; Fuhr, O.; Klar, D.; Schmitz-Antoniak, C.; Weschke, E.; Wende, H.; Ruben, M.
2013. Chemical Communications, 49, 10986–10988. doi:10.1039/C3CC46624H

Thermal and photoinduced spin crossover in a mononuclear iron(II) complex with a bis(pyrazolyl)pyridine type of ligand
Salitros, I.; Fuhr, O.; Kruk, R.; Pavlik, J.; Pogany, L.; Schäfer, B.; Tatarko, M.; Boca, R.; Linert, W.; Ruben, M.
2013. European Journal of Inorganic Chemistry, 2013, 1049–1057. doi:10.1002/ejic.201201123

Entanglement in quantum impurity problems is nonperturbative
Saleur, H.; Schmitteckert, P.; Vasseur, R.
2013. Physical Review B, 88, 085413/1–14. doi:10.1103/PhysRevB.88.085413

Molecular daisy chains
Rotzler, J.; Mayor, M.
2013. Chemical Society Reviews, 42, 44–62. doi:10.1039/C2CS35217F

Competing interactions in surface reticulation with a prochiral dicarbonitrile linker
Reichert, J.; Marschall, M.; Seufert, K.; Ecija, D.; Auwärter, W.; Arras, E.; Klyatskaya, S.; Ruben, M.; Barth, J. V.
2013. Journal of Physical Chemistry C, 117, 12858–12863. doi:10.1021/jp4021273

Catalytic ’triangles’: Binding of iron in task-specific ionic liquids
Prodius, D.; Macaev, F.; Stingaci, E.; Pogrebnoi, V.; Mereacre, V.; Novitchi, G.; Kostakis, G. E.; Anson, C. E.; Powell, A. K.
2013. Chemical Communications, 49, 1915–1917. doi:10.1039/C2CC36741F

Evidence of slow relaxation of magnetization in dysprosium-based ionic liquids
Prodius, D.; Macaev, F.; Lan, Y.; Novitchi, G.; Pogrebnoi, S.; Stingaci, E.; Mereacre, V.; Anson, C. E.; Powell, A. K.
2013. Chemical Communications, 49, 9215–9217. doi:10.1039/C3CC45554H

Modeling disordered morphologies in organic semiconductors
Neumann, T.; Danilov, D.; Lennartz, C.; Wenzel, W.
2013. Journal of Computational Chemistry, 34, 2716–2725. doi:10.1002/jcc.23445

New phosphorus-containing quinone derivatives II: Tri- and tetraphosphorylated quinone derivatives
Müller, P.; Fuhr, O.; Döring, M.
2013. Heteroatom chemistry, 24, 252–262. doi:10.1002/hc.21089

Mesoscopic behavior of the transmission phase through confined correlated electronic systems
Molina, R. A.; Schmitteckert, P.; Weinmann, D.; Jalabert, R. A.; Jacquod, P.
2013. Physical Review B, 88, 045419/1–16. doi:10.1103/PhysRevB.88.045419

Ultrahigh magnetoresistance at room temperature in molecular wires
Mahato, R. N.; Lülf, H.; Siekman, M. H.; Kersten, S. P.; Bobbert, P. A.; Jong, M. P. de; Cola, L. de; Weil, W. G. van der
2013. Science, 341, 257–260. doi:10.1126/science.1237242

Molecular orbital gates for plasmon excitation
Lutz, T.; Große, C.; Dette, C.; Kabakchiev, A.; Schramm, F.; Ruben, M.; Gutzler, R.; Kuhnke, K.; Schlickum, U.; Kern, K.
2013. Nano Letters, 13, 2846–2850. doi:10.1021/nl401177b

Magnetic properties of a family of quinternary oxalates
Lhotel, E.; Simonet, V.; Ortloff, J.; Canals, B.; Paulsen, C.; Suard, E.; Hansen, T.; Price, D. J.; Wood, P. T.; Powell, A. K.; Ballou, R.
2013. European Physical Journal B, 86, 248. doi:10.1140/epjb/e2013-30668-4

Synthesis of composite coatings using rapid laser sintering of metallic powder mixtures
Krivilyov, M. D.; Kharanzhevskii, E. V.; Lebedev, V. G.; Danilov, D. A.; Danilova, E. V.; Galenko, P. K.
2013. Physics of Metals and Metallography, 114, 799–820. doi:10.1134/S0031918X13080073

High-resolution spectroscopy of C₃ around 3 μm
Krieg, J.; Lutter, V.; Endres, C. P.; Keppeler, I. H.; Jensen, P.; Harding, M. E.; Vazquez, J.; Schlemmer, S.; Giesen, T. F.; Thorwirth, S.
2013. Journal of Physical Chemistry A, 117, 3332–3339. doi:10.1021/jp3119204

Steering on-surface self-assembly of high-quality hydrocarbon networks with terminal alkynes
Kepcija, N.; Zhang, Y. Q.; Kleinschrodt, M.; Björk, J.; Klyatskaya, S.; Klappenberger, F.; Ruben, M.; Barth, J. V.
2013. Journal of Physical Chemistry C, 117, 3987–3995. doi:10.1021/jp310606r

Synthesis, magnetism, and electrochemistry of the Ni₁₄- and Ni₅-containing heteropolytungstates [Ni₁₄(OH)₆(H₂O)₁₀(HPO₄)₄(P₂W₁₅O₅₆)₄]³⁴⁻ and [Ni₅(OH)₄(H₂O)₄(β-GeW₉O₃₄)(β-GeW₈O₃sub(O)(OH))]¹³⁻
Ibrahim, M.; Xiang, Y.; Bassil, B. S.; Lan, Y.; Powell, A. K.; Oliveira, P. de; Keita, B.; Kortz, U.
2013. Inorganic Chemistry, 52, 8399–8408. doi:10.1021/ic400943j

Systemchemie an Grenzflächen
Heinke, L.; Gliemann, H.; Wöll, C.
2013. Nachrichten aus der Chemie, 61, 116–120. doi:10.1002/nadc.201390039

4,4’’-disubstituted terpyridines and their homoleptic Fesup(I)sup(I)complexes
Harzmann, G. D.; Neuburger, M.; Mayor, M.
2013. European Journal of Inorganic Chemistry, 2013, 3334–3347. doi:10.1002/ejic.201300231

[Au₁₄(PPh₃)₈(NO₃)₄]: An example of a new class of Au(NO₃)-ligated superatom complexes
Gutrath, B. S.; Oppel, I. M.; Presly, O.; Beljakov, I.; Meded, V.; Wenzel, W.; Simon, U.
2013. Angewandte Chemie - International Edition, 52, 3529–2532. doi:10.1002/anie.201208681

By design: a macrocyclic 3d-4f single-molecule magnet with quantifiable zero-field slow relaxation of magnetization
Feltham, H. L. C.; Clerac, R.; Ungur, L.; Chibotaru, L. F.; Powell, A. K.; Brooker, S.
2013. Inorganic Chemistry, 52, 3236–3240. doi:10.1021/ic302735j

Invariants of the single-impurity Anderson model and implications for conductance functionals
Evers, F.; Schmitteckert, P.
2013. EPL, 103, 47012/1–5. doi:10.1209/0295-5075/103/47012

Matter-wave interference of particles selected from a molecular library with masses exceeding 10 000 amu
Eibenberger, S.; Gerlich, S.; Arndt, M.; Mayor, M.; Tüxen, J.
2013. Physical Chemistry Chemical Physics, 15, 14696–14700. doi:10.1039/C3CP51500A

Five-vertex Archimedean surface tessellation by lanthanide-directed molecular self-assembly
Ecija, D.; Urgel, J. I.; Papageorgiou, A. C.; Sushobhan, J.; Auswärter, W.; Seitsonen, A. P.; Klyatskaya, S.; Ruben, M.; Fischer, S.; Vijayaraghavana, S.; Reichert, J.; Barth, J. V.
2013. Proceedings of the National Academy of Sciences of the United States of America, 110, 6678–6681. doi:10.1073/pnas.1222713110

Nanopatterning by molecular self-assembly on surfaces
Eaton, T. R.; Torres, D. M.; Buck, M.; Mayor, M.
2013. Chimia, 67, 222–226. doi:10.2533/chimia.2013.222

Controllability of the Coulomb charging energy in close-packed nanoparticle arrays
Duan, C.; Wang, Y.; Sun, J.; Guan, C.; Grunder, S.; Mayor, M.; Penga, L.; Liao, J.
2013. Nanoscale, 5, 10258–10266. doi:10.1039/C3NR02334F

Large work function shift of gold induced by a novel perfluorinated azobenzene-based self-assembled monolayer
Crivillers, N.; Osella, S.; Dyck, C. van; Lazzerini, G. M.; Cornil, D.; Liscio, A.; Stasio, F. di; Mian, S.; Fenwick, O.; Reinders, F.; Neuburger, M.; Treossi, E.; Mayor, M.; Palermo, V.; Cacialli, F.; Cornil, J.; Samori, P.
2013. Advanced Materials, 25, 432–436. doi:10.1002/adma.201201737

2D self-assembly and catalytic homo-coupling of the terminal alkyne 1,4-Bis(3,5-diethynyl-phenyl)butadiyne-1,3 on Ag(111)
Cirera, B.; Zhang, Y. Q.; Klyatskaya, S.; Ruben, M.; Klappenberger, F.; Barth, J. von
2013. ChemCatChem, 5, 3281–3288. doi:10.1002/cctc.201300299

Functionalization of open two-dimensional metal-organic templates through the selective incorporation of metal atoms
Cechal, J.; Kley, C. S.; Kumagai, T.; Schramm, F.; Ruben, M.; Stepanow, S.; Kern, K.
2013. Journal of Physical Chemistry C, 117, 8871–8877. doi:10.1021/jp4015977

Para versus meta ligand substituents as a means of directing magnetic anisotropy in Fe₂Dy₂ coordination clusters
Baniodeh, A.; Mereacre, V.; Magnani, N.; Lan, Y.; Wolny, J. A.; Schünemann, V.; Anson, C. E.; Powell, A. K.
2013. Chemical Communications, 49, 9666–9668. doi:10.1039/C3CC45695A

Magnetic anisotropy and exchange coupling in a family of isostructural Fesup(I)sup(I)sup(I)₂Lnsup(I)sup(I)sup(I)₂ complexes
Baniodeh, A.; Lan, Y.; Novitchi, G.; Mereacre, V.; Sukhanov, A.; Ferbinteanu, M.; Voronkova, V.; Anson, C. E.; Powell, A. K.
2013. Dalton Transactions, 42, 8926–8938. doi:10.1039/C3DT00105A

Ringing the changes in Fesup(I)sup(I)sup(I)/Ybsup(I)sup(I)sup(I) cyclic coordination clusters
Baniodeh, A.; Anson, C. E.; Powell, A. K.
2013. Chemical Science, 4, 4354–4361. doi:10.1039/C3SC52041B

Identification of novel chromone based sulfonamides as highly potent and selective inhibitors of alkaline phosphatases
al-Rashida, M.; Raza, R.; Abbas, G.; Shah, M. S.; Kostakis, G. E.; Lecka, J.; Sevigny, J.; Muddassar, M.; Papatriantafyllopoulou, C.; Iqbal, J.
2013. European Journal of Medicinal Chemistry, 66, 438–449. doi:10.1016/j.ejmech.2013.06.015

Spins on a curved surface: An Fesup(I)sup(I)sup(I)₁₄ ferracalixarene
Ako, A. M.; Lan, Y.; Mereacre, V.; Ruiz, E.; Aravena, D.; Anson, C. E.; Powell, A. K.
2013. Dalton Transactions, 42, 9606–9612. doi:10.1039/C3DT50345C

Probing Majorana modes in the tunneling spectra of a resonant level
Korytar, R.; Schmitteckert, P.
2013. Journal of Physics: Condensed Matter, 25, 475304/1–7. doi:10.1088/0953-8984/25/47/475304

Density functional theory with exact XC potentials: Lessons from DMRG studies and exactly solvable models
Evers, F.; Schmitteckert, P.
2013. Physica status solidi (b), 250, 2330–2341. doi:10.1002/pssb.201349901

Adsorption and dehydrogenation of tetrahydroybenzene on Cu(111)
Bebensee, F.; Svane, K.; Bombis, C.; Masini, F.; Klyatskaya, S.; Besenbacher, F.; Ruben, M.; Hammer, B.; Linderoth, T.
2013. Chemical Communications, 49, 9808–9310. doi:10.1039/C3CC45052J

Antiferromagnetic coupling of TbPc₂ molecules to ultrathin Ni and Co films
Klar, D.; Klyatskaya, S.; Candini, A.; Krumme, B.; Kummer, K.; Ohresser, P.; Corradini, V.; Renzi, V. de; Biagi, R.; Joly, L.; Kappler, J. P.; Del Pennino, U.; Affronte, M.; Wende, H.; Ruben, M.
2013. Beilstein Journal of Nanotechnology, 4, 320–324. doi:10.3762/bjnano.4.36

Visions for a molecular future
Molen, S. J. van der; Calame, M.; Reed, M.; Namaan, R.; Scheer, E.; Neaton, J. B.; Nitzan, A.; Natelson, D.; Tao, N. J.; Zant, H. van der; Mayor, M.; Ruben, M.
2013. Nature Nanotechnology, 8, 385–389. doi:10.1038/nnano.2013.101

Zero-field splitting in pentacoordinate Co(II) complexes
Rajnak, C.; Titis, J.; Salitros, I.; Boca, R.; Fuhr, O.; Ruben, M.
2013. Polyhedron, 65, 122–128. doi:10.1016/j.poly.2013.08.029

Spin-dependent electronic structure of the Co/Al(OP)₃ interface
Müller, S.; Steil, S.; Droghetti, A.; Großmann, N.; Meded, V.; Magri, A.; Schäfer, B.; Fuhr, O.; Sanvito, S.; Ruben, M.; Cinchetti, M.; Aeschlimann, M.
2013. New Journal of Physics, 15, 113054/1–12. doi:10.1088/1367-2630/15/11/113054

High resolution scanning tunneling and atomic force microscopy of stereochemically resolved dibenzo[a,h]thianthrene molecules
Pavlicek, N.; Herranz-Lancho, C.; Fleury, B.; Neu, M.; Niedenführ, J.; Ruben, M.; Repp, J.
2013. Physica status solidi (b), 250, 2424–2430. doi:10.1002/pssb.201349229

Add a third hook: S-acetyl protected oligophenylene pyridine dithiols as advanced precursors for self-assembled monolayers
Sander, F.; Hermes, J. P.; Mayor, M.; Hamoudi, H.; Zharnikov, M.
2013. Physical Chemistry Chemical Physics, 15, 2836–2846. doi:10.1039/c2cp43564k

Fixierung von O₂ und CO an Metallporphyrin-Anionen in der Gasphase
Karpuschkin, T.; Kappes, M. M.; Hampe, O.
2013. Angewandte Chemie, 125, 10565–10568. doi:10.1002/ange.201303200

Molecular daisy chains: synthesis and aggregation studies of an amphiphilic molecular rod
Rotzler, J.; Drayss, S.; Hampe, O.; Häussinger, D.; Mayor, M.
2013. Chemistry - A European Journal, 19, 2089–2101. doi:10.1002/chem.201202498

Structure based design of protein linkers for zinc finger nuclease
Anand, P.; Schug, A.; Wenzel, W.
2013. FEBS Letters, 587, 3231–3235. doi:10.1016/j.febslet.2013.08.015

Influence of the morphology of lithiated copper(I) sulfides with the formal composition ’Li₂Cu₄S₃’ on their stability in electrochemical cycling
Eichhöfer, A.; Sommer, H.; Andrushko, V.; Indris, S.; Malik, S.
2013. European Journal of Inorganic Chemistry, (9), 1531–1540. doi:10.1002/ejic.201201099

Tunneling spectra simulation of interacting Majorana wires
Thomale, R.; Rachel, S.; Schmitteckert, P.
2013. Physical Review B, 88, 161103/1–5. doi:10.1103/PhysRevB.88.161103

Adiabatic tracking of a state: A new route to nonequilibrium physics
Moliner, M.; Schmitteckert, P.
2013. Physical Review Letters, 111, 120602/1–5. doi:10.1103/PhysRevLett.111.120602

Spin locking at the apex of nano-scale platinum tips
Korytar, R.; Evers, F.
2013. Surface Science, 618, 49–52. doi:10.1016/j.susc.2013.09.008

Über die Struktur 55-atomiger Übergangsmetallcluster und deren Beziehung zur Festkörperstruktur
Rapps, T.; Ahlrichs, R.; Waldt, E.; Kappes, M. M.; Schooss, D.
2013. Angewandte Chemie, 125, 6218–6221. doi:10.1002/ange.201302165

Luminescence in functionalized copper thiolate clusters. Synthesis and structural effects
Langer, R.; Yadav, M.; Weinert, B.; Fenske, D.; Fuhr, O.
2013. European Journal of Inorganic Chemistry, (21), 3623–3631. doi:10.1002/ejic.201300155

Strongly coupled slow-light polarizations in one-dimensional disordered localized states
Gao, J.; Combrie, S.; Liang, B.; Schmitteckert, P.; Lehoucq, G.; Xavier, S.; Xu, X.; Busch, K.; Huffaker, D. L.; Rossi, A. de; Wong, C. W.
2013. Scientific Reports, 3, 1994/1–6. doi:10.1038/srep01994

[Cu₄₀Se₁₆(S-C₆H₄-CN)₈(dppm)₈]: A disc-like copper cluster with a nitrile-functionalizes ligand shell
Langer, R.; Fenske, D.; Fuhr, O.
2013. Zeitschrift für Naturforschung B, 68, 575–580. doi:10.5560/ZNB.2013-3078

PowerBorn: A Barnes-Hut tree implementation for accurate and efficient born radii computation
Brieg, M.; Wenzel, W.
2013. Journal of Chemical Theory and Computation, 9, 1489–1498. doi:10.1021/ct300870s

The GW-Method for Quantum Chemistry Applications : Theory and Implementation
Setten, M. J. van; Weigend, F.; Evers, F.
2013. Journal of chemical theory and computation, 9 (1), 232–246. doi:10.1021/ct300648t

Differential hERG ion channel activity of ultrasmall gold nanoparticles
Leifert, A.; Pan, Y.; Kinkeldey, A.; Schiefer, F.; Setzler, J.; Scheel, O.; Lichtenbeld, H.; Schmid, G.; Wenzel, W.; Jahnen-Dechent, W.; Simon, U.
2013. Proceedings of the National Academy of Sciences of the United States of America, 110, 8004–8009. doi:10.1073/pnas.1220143110

Body-wing swapping in butterfly {Fesup(I)sup(I)sup(I)₂Lnsup(I)sup(I)sup(I)₂} coordination clusters with triethylene glycol as ligand
Peng, G.; Kostakis, G. E.; Lan, Y.; Powell, A. K.
2013. Dalton Transactions, 42, 46–49. doi:10.1039/c2dt32027d

Two pseudopolymorphs derived from alkaline earth metals and the pseudopeptidic ligand trimesoyl-tris-glycine
Dokorou, V. N.; Powell, A. K.; Kostakis, G. E.
2013. Polyhedron, 52, 538–544. doi:10.1016/j.poly.2012.08.032

Chalcogenide clusters of copper and silver from silylated chalcogenide sources
Fuhr, O.; Dehnen, S.; Fenske, D.
2013. Chemical Society Reviews, 42, 1871–1906. doi:10.1039/c2cs35252d

A database of topological representations of polynuclear nickel compounds
Wix, P.; Kostakis, G. E.; Blatov, V. A.; Proserpio, D. M.; Perlepes, S. P.; Powell, A. K.
2013. European Journal of Inorganic Chemistry, 2013, 520–526. doi:10.1002/ejic.201201348

Atropisomerization of di-para-substituted propyl-bridged biphenyl cyclophanes
Rotzler, J.; Gsellinger, H.; Bihlmeier, A.; Gantenbein, M.; Vonlanthen, D.; Häussinger, D.; Klopper, W.; Mayor, M.
2013. Organic & biomolecular chemistry, 11 (1), 110–118. doi:10.1039/c2ob26243f

Simulations of constant current STM images of open-shell systems
Kepenekian, M.; Robles, R.; Korytar, R.; Lorente, N.
2013. Imaging and Manipulating Molecular Orbitals : Proceedings of the 3rd AtMol International Workshop, Berlin, 24.-25. September 2012. Hrsg.: L. Grill, 117–136, Springer-Verlag. doi:10.1007/978-3-642-38809-5_10

Simultaneous detection of Raman scattering and near-infrared photoluminescence in one imaging microscope
Stürzl, N.; Lebedkin, S.; Peng, F.; Li, Y.; Hennrich, F.; Kappes, M. M.
2012. Review of Scientific Instruments, 83 (6), 063709/1–6. doi:10.1063/1.4731684

Mass spectrometric characterization of a dinuclear terbium phthalocyaninato complex
Hampe, O.; Klyatskaya, S.; Karpuschkin, T.; Vonderach, M.; Weis, P.; Ruben, M.; Kappes, M. M.
2012. International Journal of Mass Spectrometry, 325-327, 183–188. doi:10.1016/j.ijms.2012.06.011

Resonant tunneling through the repulsive Coulomb barrier of a quadruply charged molecular anion
Dau, P. D.; Liu, H.-T.; Yang, J.-P.; Winghart, M.-O.; Wolf, T. J. A.; Unterreiner, A.-N.; Weis, P.; Miao, Y.-R.; Ning, C.-G.; Kappes, M. M.; Wang, L.-S.
2012. Physical Review / A - Atomic, Molecular, and Optical Physics, 85 (6), 064503/1–5. doi:10.1103/PhysRevA.85.064503

Isomer-selected photoelectron spectroscopy of isolated DNA oligonucleotides: Phosphate and nucleobase deprotonation at high negative charge states
Vonderach, M.; Ehrler, O. T.; Matheis, K.; Weis, P.; Kappes, M. M.
2012. Journal of the American Chemical Society, 134 (18), 7830–7841. doi:10.1021/ja300619j

Desorption of C₆₀ upon thermal decomposition of cesium C₅₈ fullerides
Ulas, S.; Löffler, D.; Weis, P.; Böttcher, A.; Kappes, M. M.
2012. Journal of Chemical Physics, 136 (11), 114708/1–8. doi:10.1063/1.3694831

Incorporating C₂ into C₆₀ films
Ulas, S.; Strelnikov, D.; Weis, P.; Böttcher, A.; Kappes, M. M.
2012. Journal of Chemical Physics, 136 (1), 014701/1–12. doi:10.1063/1.3673887

Error-Balanced Segmented Contracted Basis Sets of Double-ζ to Quadruple-ζ Valence Quality for the Lanthanides
Gulde, R.; Pollak, P.; Weigend, F.
2012. Journal of chemical theory and computation, 8 (11), 4062–4068. doi:10.1021/ct300302u

Making practical use of the pseudo-element concept: an efficient way to ternary intermetalloid clusters by an isoelectronic Pb⁻-Bi combination
Ababei, R.; Heine, J.; Holynska, M.; Thiele, G.; Weinert, B.; Xie, X.; Weigend, F.; Dehnen, S.
2012. Chemical Communications, 48 (92), 11295–11297. doi:10.1039/c2cc35318k

Engineering hydrophobin DewA to generate surfaces that enhance adhesion of human but not bacterial cells
Boeuf, S.; Throm, T.; Strunk, T.; Hoffmann, M.; Seebach, E.; Mühlberg, L.; Gotterbarm T.; Gutt, B.; Wenzel, W.; Fischer, R.; Richter, W.; Brocher, J.
2012. Acta biomaterialia, 8 (3), 1037–1047. doi:10.1016/j.actbio.2011.11.022

Family of spin- chain representations of SU(2) Wess-Zumino-Witten models
Thomale, R.; Rachel, S.; Schmitteckert, P.; Greiter, M.
2012. Physical review / B, 85 (19), Art.Nr. 195149. doi:10.1103/PhysRevB.85.195149

Finite-size effects and irrelevant corrections to scaling near the integer quantum hall transition
Obuse, H.; Gruzberg, I. A.; Evers, F.
2012. Physical Review Letters, 109 (20), 206804/1–5. doi:10.1103/PhysRevLett.109.206804

Charge susceptibility in Kondo systems at half filling: DMRG study
Schmitteckert, P.; Evers, F.
2012. Annalen der Physik, 524 (3-4), L1-L4. doi:10.1002/andp.201100298

Quantum size effects in the atomistic structure of armchair nanoribbons
Dasgupta, A.; Bera, S.; Evers, F.; Van Setten, M. J.
2012. Physical review / B, 85 (12), 125433/1–8. doi:10.1103/PhysRevB.85.125433

Memory effects in electrochemically gated metallic point contacts
Maul, R.; Xie, F.-Q.; Obermair, C.; Schön, G.; Schimmel, T.; Wenzel, W.
2012. Applied Physics Letters, 100 (20), 203511/1–5. doi:10.1063/1.4719207

Ab initio study of the thermopower of biphenyl-based single-molecule junctions
Bürkle, M.; Zotti, L. A.; Viljas, J. K.; Vonlanthen, D.; Mishchenko, A.; Wandlowski, T.; Mayor, M.; Schön, G.; Pauly, F.
2012. Physical review / B, 86 (11), Art.Nr. 115304/1–8. doi:10.1103/PhysRevB.86.115304

Conduction mechanisms in biphenyl dithiol single-molecule junctions
Bürkle, M.; Viljas, J. K.; Vonlanthen, D.; Mishchenko, A.; Schön, G.; Mayor, M.; Wandlowski, T.; Pauly, F.
2012. Physical review / B, 85 (7), Art.Nr. 076417. doi:10.1103/PhysRevB.85.075417

Scanning the potential energy surface for synthesis of dendrimer-wrapped gold clusters: design rules for true single-molecule nanostructures
Thompson, D.; Hermes, J. P.; Quinn, A. J.; Mayor, M.
2012. ACS Nano, 6, 3007–3017. doi:10.1021/nn204470g

One-pot five-component synthesis of spirocyclopenta[b]chromene derivatives and their acid-catalyzed rearrangement
Terzidis, M. A.; Zarganes-Tzitzikas, T.; Tsimenidis, C.; Stephanidou-Stephanatou, J.; Tsoleridis, C. A.; Kostakis, G. E.
2012. Journal of Organic Chemistry, 77, 9018–9028. doi:10.1021/jo3014947

New proton donors in electrochemical mechanistic studies in non-aqueous solution dimethylsulfoxide: chlorinated hydroxybenzonitriles
Sokolova, R.; Gal, M.; Valasek, M.
2012. Journal of Electroanalytical Chemistry, 685, 33–36. doi:10.1016/j.jelechem.2012.09.002

Optically switchable organic field-effect transistors based on photoresponsive gold nanoparticles blended with poly(3-hexylthiophene)
Raimondo, C.; Crivillers, N.; Reinders, F.; Sander, F.; Mayor, M.; Samori, P.
2012. Proceedings of the National Academy of Sciences of the United States of America, 109, 12375–12380. doi:10.1073/pnas.1203848109

Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets
Novitchi, G.; Pilet, G.; Ungur, L.; Moshchalkov, V. V.; Wernsdorfer, W.; Chibotaru, L. F.; Luneau, D.; Powell, A. K.
2012. Chemical science, 3 (4), 1169–1176. doi:10.1039/C2SC00728B

A method for topological analysis of high nuclearity coordination clusters and its application to Mn coordination compounds
Kostakis, G. E.; Blatov, V. A.; Proserpio, D. M.
2012. Dalton Transactions, 41, 4634–4640. doi:10.1039/c2dt12263d

Real-time single-molecule imaging of quantum interference
Juffmann, T.; Milic, A.; Müllneritsch, M.; Asenbaum, P.; Tsukernik, A.; Tüxen, J.; Mayor, M.; Cheshnovsky, O.; Arndt, M.
2012. Nature Nanotechnology, 7, 297–300. doi:10.1038/nnano.2012.34

Synthesis and solid-state investigations of oligo-phenylene-ethynylene structures with halide end-groups
Jenny, N. M.; Wang, H.; Neuburger, M.; Fuchs, H.; Chi, L.; Mayor, M.
2012. European Journal of Organic Chemistry, 2738–2747. doi:10.1002/ejoc.201200033

Monofunctionalized gold nanoparticles stabilized by a single dendrimer form dumbbell structures upon homocoupling
Hermes, J. P.; Sander, F.; Fluch, U.; Peterle, T.; Thompson, D.; Urbani, R.; Pfohl, T.; Mayor, M.
2012. Journal of the American Chemical Society, 134, 14674–14677. doi:10.1021/ja306253t

Employment of a new tripodal ligand for the synthesis of cobalt(II/III), nickel(II), and copper(ÖII) clusters: magnetic, optical, and thermal properties
Canaj, A. B.; Tzimopoulos, D. I.; Philippidis, A.; Kostakis, G. E.; Milios, C. J.
2012. Inorganic Chemistry, 51, 10461–10470. doi:10.1021/ic301744e

Experimental evidence for quantum interference and vibrationally induced decoherence in single-molecule junctions
Ballmann, S.; Härtle, R.; Coto, P. B.; Elbing, M.; Mayor, M.; Bryce, M. R.; Thoss, M.; Weber, H. B.
2012. Physical Review Letters, 109, 056801/1–5. doi:10.1103/PhysRevLett.109.056801

Self-assembly of a mononuclear [Fesup(I)sup(I)sup(I)(L)(EtOH)₂] complex bearing an n-dodecyl chain on solid highly oriented pyrolytic graphite surfaces
Ako, A. M.; Alam, M. S.; Rahman, M.; Hill, J. P.; Sanchez-Ballester, N. M.; Ariga, K.; Buth, G.; Anson, C. E.; Powell, A. K.
2012. Chemistry - A European Journal, 18, 16419–16425. doi:10.1002/chem.201202858

Doped Semimetal Clusters: Ternary, Intermetalloid Anions [Ln@SnBi] and [Ln@SnBi] (Ln = La, Ce) with Adjustable Magnetic Properties
Lips, F.; Holynska, M.; Clerac, R.; Weigend. F.; Dehnen, S.
2012. Journal of the American Chemical Society, 134 (2), 1181–1191. doi:10.1021/ja209226b

Zinc Chalcogenolate Complexes as Precursors to ZnE and Mn/ZnE (E = S, Se) Clusters
Khadka Chhatra, B.; Eichhofer, A.; Weigend, F.; Corrigan, J.
2012. Inorganic chemistry, 51 (5), 2747–2756. doi:10.1021/ic200307g

Seminumerical calculation of the Hartree-Fock exchange matrix: application to two-component procedures and efficient evaluation of local hybrid density functionals
Plessow, P.; Weigend, F.
2012. Journal of computational chemistry, 33 (7), 810–816. doi:10.1002/jcc.22901

Structures of small bismuth cluster cations
Kelting, R.; Baldes, A.; Schwarz, U.; Rapps, T.; Schooss, D.; Weis, P.; Neiss, C.; Weigend, F.; Kappes, M. M.
2012. Journal of chemical physics, 136 (15), 154309. doi:10.1063/1.3703014

Probing the Influence of Size and Composition on the Photoelectron Spectra of Cadmium Chalcogenide Cluster Dianions
Matheis, K.; Eichhöfer, A.; Weigend, F.; Ehrler, O. T.; Hampe, O.; Kappes, M. M.
2012. Journal of physical chemistry / C, 116 (25), 13800–13809. doi:10.1021/jp303048u

Selective Coordination Bonding in Metallo-Supramolecular Systems on Surfaces
Langner, A.; Tait, S. L.; Lin, N.; Chandrasekar, R.; Meded, V.; Fink, K.; Ruben, M.; Kern, K.
2012. Angewandte Chemie / International edition, 51 (18), 4327–4331. doi:10.1002/anie.201108530

Embedding method for the scattering phase in strongly correlated quantum dots
Molina, R. A.; Schmitteckert, P.; Weinmann, D.; Jalabert, R. A.; Jacquod, P.
2012. Journal of Physics: Conference Series, 338, 012011/1–10. doi:10.1088/1742-6596/338/1/012011