Publications 2019

Investigating the Structure and Dynamics of Apo‐Photosystem II S. Luber, H. Dau, A. Zouni, H. Dobbek, M. Zhang, K. Rempfer, R. Han ChemCatChem 2019, 11, 4072–4080, 10.1002/cctc.201900351

Complete cleavage of the N≡N triple bond by Ta2N+via degenerate ligand exchange at ambient temperature: A perfect catalytic cycle H. Schwarz, T. Weiske, J. Li, C. Geng Proceedings of the National Academy of Sciences 2019, 116, 21416–21420, 10.1073/pnas.1913664116

Asymmetry in the Ligand Coordination Sphere of the [FeFe] Hydrogenase Active Site Is Reflected in the Magnetic Spin Interactions of the Aza-propanedithiolate Ligand W. Lubitz, S. P. Cramer, T. B. Rauchfuss, M. Kaupp, C. P. Richers, J. A. Birrell, V. Pelmenschikov, E. J. Reijerse The Journal of Physical Chemistry Letters 2019, 6794–6799, 10.1021/acs.jpclett.9b02354

A Reaction‐Induced Localization of Spin Density Enables Thermal C−H Bond Activation of Methane by Pristine FeC4+ C. Geng, J. Li, T. Weiske, H. Schwarz Chemistry – A European Journal 2019, 25, 12940–12945, 10.1002/chem.201902572

O−O Bond Formation and Liberation of Dioxygen Mediated by N5-Coordinate Non-Heme Iron(IV) Complexes N. Kroll, I. Speckmann, M. Schoknecht, J. Gülzow, M. Diekmann, J. Pfrommer, A. Stritt, M. Schlangen, A. Grohmann, G. Hörner Angewandte Chemie International Edition 2019, 10.1002/anie.201903902

Silicon-Mediated Coupling of Carbon Monoxide, Ammonia, and Primary Amines to Form Acetamides M. P. Luecke, A. Kostenko, Y. Wang, S. Yao, M. Driess Angewandte Chemie International Edition 2019, 10.1002/anie.201904361

Ni Single Atom Catalysts for CO2Activation M. M. Millet, G. Algara-Siller, S. Wrabetz, A. Mazheika, F. Girgsdies, D. Teschner, F. Seitz, A. Tarasov, S. V. Levchenko, R. Schlögl, E. Frei Journal of the American Chemical Society 2019, 141, 2451–2461, 10.1021/jacs.8b11729

Reassessment of the Mechanisms of Thermal C−H Bond Activation of Methane by Cationic Magnesium Oxides: A Critical Evaluation of the Suitability of Different Density Functionals H. Schwarz, T. Tian, X. Sun, T. Weiske, Y. Cai, C. Geng, J. Li ChemPhysChem 2019, 20, 1812–1821, 10.1002/cphc.201900508

Insights from125Te and57Fe nuclear resonance vibrational spectroscopy: a [4Fe–4Te] cluster from two points of view F. Wittkamp, N. Mishra, H. Wang, H. C. Wille, R. Steinbrügge, M. Kaupp, S. P. Cramer, U. P. Apfel, V. Pelmenschikov Chemical Science 2019, 10.1039/C9SC02025J

Crystallographic and electronic evolution of lanthanum strontium ferrite (La0.6Sr0.4FeO3−δ) thin film and bulk model systems during iron exsolution T. Götsch, N. Köpfle, M. Grünbacher, J. Bernardi, E. A. Carbonio, M. Hävecker, A. Knop-Gericke, M. F. Bekheet, L. Schlicker, A. Doran, A. Gurlo, A. Franz, B. Klötzer, S. Penner Physical Chemistry Chemical Physics 2019, 21, 3781–3794, 10.1039/C8CP07743F

High specific surface area ordered mesoporous silica COK-12 with tailored pore size L. M. Henning, D. D. Cubas, M. G. Colmenares, J. Schmidt, M. F. Bekheet, B. R. Pauw, A. Gurlo, U. Simon Microporous and Mesoporous Materials 2019, 280, 133–143, 10.1016/j.micromeso.2019.01.050

Three-Dimensional Sulfite Oxidase Bioanodes Based on Graphene Functionalized Carbon Paper for Sulfite/O2 Biofuel Cells J. Tang, R. M. L. Werchmeister, L. Preda, W. Huang, Z. Zheng, S. Leimkühler, U. Wollenberger, X. Xiao, C. Engelbrekt, J. Ulstrup, J. Zhang ACS Catalysis 2019, 10.1021/acscatal.9b01715

Advanced Nonlinear Multi-Layer Process Control for Autotrophic Cultivations F. Neddermeyer, R. King IFAC Symposium on Dynamics and Control of Process Systems including Biosystems Proceedings 2019 2019, 12,

TrimethylamineN‐Oxide Electrochemical Biosensor with a Chimeric Enzyme B. Mitrova, A. F. T. Waffo, P. Kaufmann, C. Iobbi‐Nivol, S. Leimkühler, U. Wollenberger ChemElectroChem 2019, 6, 1732–1737, 10.1002/celc.201801422

Transfer Hydrocyanation of α- and α,β-Substituted Styrenes Catalyzed by Boron Lewis Acids P. Orecchia, W. Yuan, M. Oestreich Angewandte Chemie International Edition 2019, 58, 3579–3583, 10.1002/anie.201813853

Thermal Activation of CH4and H2as Mediated by the Ruthenium Oxide Cluster Ions [RuOx]+(x=1-3): On the Influence of Oxidation States X. Sun, S. Zhou, L. Yue, M. Schlangen, H. Schwarz Chemistry - A European Journal 2019, 25, 3550–3559, 10.1002/chem.201806187

On the Remarkable Role of the Nitrogen Ligand in the Gas-Phase Redox Reaction of the N2O/CO Couple Catalyzed by [NbN]+ X. Sun, S. Zhou, L. Yue, C. Guo, M. Schlangen, H. Schwarz Angewandte Chemie International Edition 2019, 58, 3635–3639, 10.1002/anie.201814460

Tuning the Reactivities of the Heteronuclear [AlnV3−nO7−n]+(n=1, 2) Cluster Oxides towards Methane by Varying the Composition of the Metal Centers S. Zhou, X. Sun, L. Yue, M. Schlangen, H. Schwarz Chemistry - A European Journal 2019, 25, 2967–2971, 10.1002/chem.201805908

Intermediates of N-Heterocyclic Carbene (NHC) Dimerization Probed in the Gas Phase by Ion Mobility Mass Spectrometry: C−H⋅⋅⋅:C Hydrogen Bonding Versus Covalent Dimer Formation M. Paul, E. Detmar, M. Schlangen, M. Breugst, J. M. Neudörfl, H. Schwarz, A. Berkessel, M. Schäfer Chemistry - A European Journal 2019, 25, 2511–2518, 10.1002/chem.201803641

Identification of Active Sites and Structural Characterization of Reactive Ionic Intermediates by Cryogenic Ion Trap Vibrational Spectroscopy H. Schwarz, K. R. Asmis Chemistry - A European Journal 2019, 25, 2112–2126, 10.1002/chem.201805836

Intrinsic Reactivity of Diatomic 3d Transition-Metal Carbides in the Thermal Activation of Methane: Striking Electronic Structure Effects C. Geng, T. Weiske, J. Li, S. Shaik, H. Schwarz Journal of the American Chemical Society 2019, 141, 599–610, 10.1021/jacs.8b11739