Publications of the MPI für Kohlenforschung

Bilke, M.; Zimmermann, T.; Schüth, F. Iodine-Catalyzed Selective Functionalization of Ethane in Oleum: Toward a Direct Process for the Production of Ethylene Glycol from Shale Gas. Journal of the American Chemical Society 2020, 142, 21712–21719.

Sandig-Predzymirska, L.; Ortmeyer, J.; Wagler, J.; Brendler, E.; Habermann, F.; Anders, M.; Felderhoff, M.; Mertens, F. The Direct and Reversible Hydrogenation of Activated Aluminium Supported by Piperidine. Dalton Transactions 2020, 49, 17689–17698.

Wang, L.; Cornella, J. A Unified Strategy for Arylsulfur(VI) Fluorides from Aryl Halides: Access to Ar‐SOF₃ Compounds. Angewandte Chemie International Edition 2020, 59, 23510–23515.

Reetz, M. T. Effective Mentoring Ensures the Progress of Science. Journal of Biology 2020, 37.

Santos, J. M.; Vetere, A.; Wisniewski, A.; Eberlin, M. N.; Schrader, W. Modified SARA Method to Unravel the Complexity of Resin Fraction(s) in Crude Oil. Energy & Fuels 2020, 34, 16006–16013.

Joshi, H.; Ochoa-Hernández, C.; Nürenberg, E.; Kang, L.; Wang, F. R.; Weidenthaler, C.; Schmidt, W.; Schüth, F. Insights into the Mechanochemical Synthesis of Sn-β: Solid-State Metal Incorporation in Beta Zeolite. Microporous and Mesoporous Materials 2020, 309, 110566.

Gómez‐Piñeiro, R. J.; Pantazis, D. A.; Orio, M. Comparison of Density Functional and Correlated Wave Function Methods for the Prediction of Cu(II) Hyperfine Coupling Constants. ChemPhysChem 2020, 21, 2667–2679.

Roy, L.; Mondal, B.; Ye, S. Computational Mechanistic Insights into non-Noble-Metal-Catalysed CO₂ Conversion. Dalton Transactions 2020, 49, 16608–16616.

Chen, T.-Y.; Ho, P.-H.; Spyra, C.-J.; Meyer, F.; Bill, E.; Ye, S.; Lee, W.-Z. Ambiphilicity of a Mononuclear Cobalt(III) Superoxo Complex. Chemical Communications 2020, 56, 14821–14824.

König, G.; Riniker, S. On the Faithfulness of Molecular Mechanics Representations of Proteins Towards Quantum-Mechanical Energy Surfaces. Interface Focus 2020, 10, 20190121.

Properzi, R.; Kaib, P. S. J.; Leutzsch, M.; Pupo, G.; Mitra, R.; De, C. K.; Song, L.; Schreiner, P. R.; List, B. Catalytic Enantiocontrol over a non-Classical Carbocation. Nature Chemistry 2020, 12, 1174–1179.

Waffel, D.; Budiyanto, E.; Porske, T.; Büker, J.; Falk, T.; Fu, Q.; Schmidt, S.; Tüysüz, H.; Muhler, M.; Peng, B. Investigation of Synergistic Effects between Co and Fe in Co_3-xFe_xO₄ Spinel Catalysts for the Liquid-Phase Oxidation of Aromatic Alcohols and Styrene. Molecular Catalysis 2020, 498, 111251.

Datta, D.; Saitow, M.; Sandhöfer, B.; Neese, F. ⁵⁷Fe Mössbauer Parameters from Domain Based Local Pair-Natural Orbital Coupled-Cluster Theory. The Journal of Chemical Physics 2020, 153, 204101.

Planchestainer, M.; McMaster, J.; Schulz, C.; Paradisi, F.; Albrecht, M. Carbene‐Induced Rescue of Catalytic Activity in Deactivated Nitrite Reductase Mutant. Chemistry – A European Journal 2020, 26, 15206–15211.

Hillenbrand, J.; Leutzsch, M.; Gordon, C. P.; Copéret, C.; Fürstner, A. ¹⁸³W NMR Spectroscopy Guides the Search for Tungsten Alkylidyne Catalysts for Alkyne Metathesis. Angewandte Chemie International Edition 2020, 59, 21758–21768.

Wong, J. W. L.; Hua, S.-A.; Demeshko, S.; Dechert, S.; Ye, S.; Meyer, F. Bis(Pyrazolato) Bridged Diiron Complexes: Ferromagnetic Coupling in a Mixed‐Valent HS‐Fe^II/LS‐Fe^III Dinuclear Complex. European Journal of Inorganic Chemistry 2020, 2020, 4137–4145.

Abdellatif, S. O.; Kirah, K.; Erni, D.; Marlow, F. Modeling Disorder in Two-Dimensional Colloidal Crystals Based on Electron Microscope Measurements. Applied Optics 2020, 59, 10432–10440.

Le Vaillant, F.; Reijerse, E. J.; Leutzsch, M.; Cornella, J. Dialkyl Ether Formation at High-Valent Nickel. Journal of the American Chemical Society 2020, 142, 19540–19550.

Pang, Y.; Leutzsch, M.; Nöthling, N.; Cornella, J. Catalytic Activation of N₂O at a Low-Valent Bismuth Redox Platform. Journal of the American Chemical Society 2020, 142, 19473–19479.

Chakarawet, K.; Atanasov, M.; Marbey, J.; Bunting, P. C.; Neese, F.; Hill, S.; Long, J. R. Strong Electronic and Magnetic Coupling in M₄ (M = Ni, Cu) Clusters Via Direct Orbital Interactions between Low-Coordinate Metal Centers. Journal of the American Chemical Society 2020, 142, 19161–19169.