Publikationen

2018

Journals

  • Wang, M., Römelt, C., Weyhermüller, T., Wieghardt, K. (2018). Coordination Modes, Oxidation, and Protonation Levels of 2,6-Pyridinediimine and 2,2′:6′,2′́-Terpyridine Ligands in New Complexes of Cobalt, Zirconium, and Ruthenium. An Experimental and Density Functional Theory Computational Study Inorganic Chemistry https://doi.org/10.1021/acs.inorgchem.8b01949
  • Esteban, J., Yustos, P., Ladero, M. (2018). Catalytic Processes from Biomass-Derived Hexoses and Pentoses: A Recent Literature Overview Catalysts 8(12), 637. https://doi.org/10.3390/catal8120637
  • Sterling, C.M., Bjornsson, R. (2018). A Multi-Step Explicit Solvation Protocol for Calculation of Redox Potentials Journal of Chemical Theory and Computation https://doi.org/10.1021/acs.jctc.8b00982
  • Xu, Y., Özcan, F., Zielke, P., Becker, S., Heimann, M., Heese, J., Chakrapani, K., Behrens, M., Bredmose Simonsen, S., Norby, P., Hendriksen, P.V., Kiebach, R. (2018). Continuous Hydrothermal Flow Synthesis of Co1–xNixFe2O4 (x = 0-0.8) Nanoparticles and Their Catalytic Properties for CO Oxidation and Oxygen Evolution Reaction Journal of Inorganic and General Chemistry https://doi.org/10.1002/zaac.201800307
  • Velasco-Vélez, J.-J., Jones, T., Gao, D., Carbonio, E., Arrigo, R., Hsu, C.-J., Huang, Y.-C., Dong, C.-L., Chen, J.-M., Lee, J.-F., Strasser, P., Roldan Cuenya, B., Schlögl, R., Knop-Gericke, A., Chuang, C.-H. (2018). The role of the copper oxidation state in the electrocatalytic reduction of CO2 into valuable hydrocarbons Sustainable Chemistry & Engineering https://doi.org/10.1021/acssuschemeng.8b05106
  • Wu, K.-H., Huang, X., Tahini, H., Kappen, P., Huang, R., Tan, X. Jang, L.-Y., Ding, Y., Smith,S., Qi, W., Gentle, I.R., Su, D.-S., Amal, R., W, D.-W. (2018). Oxygen Electrocatalysis at MnIII–Ox–C Hybrid Heterojunction: An Electronic Synergy or a Cooperative Catalysis? Applied Materials & Interfaces https://doi.org/10.1021/acsami.8b16325
  • Nehrkorn, J., Veber, S.L., Zhukas, L.A., Novikov, V.N., Nelyubina, Y.V., Voloshin, Y.Z, Holldach, K., Stoll, S., Schnegg, A. (2018). Determination of Large Zero-Field Splitting in High-Spin Co(I) Clathrochelates Inorganic Chemistry https://doi.org/10.1021/acs.inorgchem.8b02670
  • Srinivas, V., Lebrette, H., Lundin, D., Kutin, Y., Sahlin, M., Lerche, M., Eirich, J., Branca, R.M.M., Cox, N., Sjöberg, B.-M., Högbom, M. (2018). Metal-free ribonucleotide reduction powered by a DOPA radical in Mycoplasma pathogens Nature 564, 416-420. https://doi.org/10.1038/s41586-018-0653-6
  • Siemer, N., Lüken, A., Zalibera, M., Frenzel, J., Muñoz-Santiburcio, D., Savitsky, A., Lubitz, W., Muhler, M., Marx, D., Strunk, J. (2018). Atomic scale explanation of O2 activation at the Au-TiO2 interface Journal of American Chemical Society https://doi.org/10.1021/jacs.8b10929
  • Stavretis, S.E., Cheng, Y., Daemen, L.L., Brown, C.M., Moseley, D.H., Bill, E., Atanasov, M., Ramirez-Cuesta, A.J., Neese, F., Xue, Z.-L. (2018). Probing Magnetic Excitations in a Co(II) Single‐Molecule Magnet by Inelastic Neutron Scattering European Journal of Inorganic Chemistry https://doi.org/10.1002/ejic.201801088
  • Malzer, W., Grötzsch, D., Gnewkow, R., Schlesiger, C., Kowalewski, F., Van Kuiken, B., DeBeer, S., Kanngießer, B. (2018). A laboratory spectrometer for high throughput X-ray emission spectroscopy in catalysis research Review of Scientific Instruments 89, 113111. https://doi.org/10.1063/1.5035171
  • Shankar, S., Peters, M., Steinborn, K., Krahwinkel, B., Sönnichsen, F.D., Grote, D., Sander, W., Lohmiller, T., Rüdiger, O., Herges, R. (2018). Light-controlled switching of the spin state of iron(III) Nature Communications 9, 4750. https://doi.org/10.1038/s41467-018-07023-1
  • Li, H., Buesen, D., Williams, R., Henig, J., Stapf, S., Mukherjee, K., Freier, E., Lubitz, W., Winkler, M., Happe, T., Plumeré, N. (2018). Preventing the coffee-ring effect and aggregate sedimentation by in situ gelation of monodisperse materials Chemical Science, 9, 7596-7605. https://doi.org/10.1039/C8SC03302A
  • Xiang, G., Tang, Y., Liu, Z., Zhu, W., Liu, H., Wang, J., Zhong, G., Li, J., Wang, X. (2018). Probing ligand-induced cooperative orbital redistribution that dominates nanoscale molecule-surface interactions with one-unit-thin TiO2 nanosheets Nano Letters https://doi.org/10.1021/acs.nanolett.8b03572
  • Szczesny, J., Markovic, N., Conzuelo, F., Zacarias, S., Pereira, I.A.C., Lubitz, W., Plumeré, N., Schuhmann, W., Ruff, A. (2018). A gas breathing hydrogen/air biofuel cell comprising a redox polymer/hydrogenase-based bioanode Nature Communications 9, 4715. https://doi.org/10.1038/s41467-018-07137-6
  • Möbius, K., Lubitz, W., Cox, N., Savitsky, A. (2018). Biomolecular EPR Meets NMR at High Magnetic Fields Magnetochemistry, 4, 50. https://doi.org/10.3390/magnetochemistry4040050
  • Cutsail III, G.E., Banerjee, R., Zhou, A., Que, L., Lipscomb, J.D., DeBeer, S. (2018). High-Resolution EXAFS Provides Evidence for a Longer Fe•••Fe Distance in the Q Intermediate of Methane Monooxygenase Journal of American Chemical Society https://doi.org/10.1021/jacs.8b10313
  • Murugappan, K., Anderson, E.M., Teschner, D., Jones, T.E., Skorpuska, K., Román-Leshkov, Y. (2018). Operando NAP-XPS unveils differences in MoO3 and Mo2C during hydrodeoxygenation Nature Catalysis https://doi.org/10.1038/s41929-018-0171-9
  • Köcher, S.S., Schleker, P.P.M., Graf, M.F., Eichel, R.-A., Reuter, K., Granwehr, J., Scheurer, Ch. (2018). Chemical shift reference scale for Li solid state NMR derived by first-principles DFT calculations Journal of Magnetic Resonance, 297, 33-41.  https://doi.org/10.1016/j.jmr.2018.10.003
  • Lin, Y., Sun, X., Sheng Su, D., Centi, G., Perathoner, S. (2018). Catalysis by hybrid sp2/sp3 nanodiamonds and their role in the design of advanced nanocarbon materials Chemical Society Reviews, 47, 8438-8473. https://doi.org/10.1039/c8cs00684a
  • Erken, C., Kaithal, A., Sen, S., Weyhermüller, T., Hölscher, M., Werlé, C., Leitner, W. (2018). Manganese-catalyzed hydroboration of carbon dioxide and other challenging carbonyl groups Nature Communications, 9, 4521. https://doi.org/10.1038/s41467-018-06831-9
  • Rodenas, T., Beeg, S., Spanos, I., Neugebauer, S., Girgsdies, F., Algara-Siller, G., Schleker, P.P.M., Jakes, P., Pfänder, N., Willinger, M., Greiner, M., Prieto, G., Schlögl, R., Heumann, S. (2018). 2D Metal Organic Framework-Graphitic Carbon Nanocomposites as Precursors for High-Performance O2-Evolution Electrocatalysts Advanced Energy Materials https://doi.org/10.1002/aenm.201802404
  • Zakharchenko, T.K., Belova, A.I., Frolov, A.S., Kapitanova, O.O., Velasco-Velez, J.-J., Knop-Gericke, A., Vyalikh, D., Itkis, D.M., Yashina, L.V. (2018). Notable Reactivity of Acetonitrile Towards Li2O2/LiO2 Probed by NAP XPS During Li–O2 Battery Discharge Topics in Catalysis https://doi.org/10.1007/s11244-018-1072-5
  • Velasco-Vélez, J.-J., Teschner, D., Girgsdies, F., Hävecker, M., Streibe, V. Willinger, M.G., Cao, J., Lamoth, M., Frei, E., Wang, R., Centeno, A., Zurutuza, A., Hofmann, S., Schlögl, R., Knop-Gericke, A. (2018). The Role of Adsorbed and Subsurface Carbon Species for the Selective Alkyne Hydrogenation Over a Pd-Black Catalyst: An Operando Study of Bulk and Surface Topics in Catalysis https://doi.org/10.1007/s11244-018-1071-6
  • Rösler, T., Faβbach, T.A., Schrimpf, M., Vorholt, A.J., Leitner, W. (2018). Towards water-based recycling techniques: Methodologies for homogeneous catalyst recycling in liquid/liquid multiphase media and their implementation in continuous processes Industrial & Engineering Chemistry Research https://doi.org/10.1021/acs.iecr.8b04295
  • Katsaounis, A., Teschner, D., Zafeiratos, S. (2018). The Effect of Polarization and Reaction Mixture on the Rh/YSZ Oxidation State During Ethylene Oxidation Studied by Near Ambient Pressure XPS Topics in Catalysis https://doi.org/10.1007/s11244-018-1073-4
  • Millet, M., Frei, E., Algara-Siller, G., Schlögl, R., Tarasov, A. (2018). Surface titration of supported Ni catalysts by O2-pulse thermal analysis Applied Catalysis A: General 566, 155-163. https://doi.org/10.1016/j.apcata.2018.08.023
  • Opitz, A.K., Rameshan, C., Kubicek, M., Rupp, G.M., Nenning, A., Götsch, T., Blume, R., Hävecker, M., Gericke-Knop, A., Rupprechter, G., Klötzer, B., Fleig, J. (2018). The Chemical Evolution of the La0.6Sr0.4CoO3−δ Surface Under SOFC Operating Conditions and Its Implications for Electrochemical Oxygen Exchange Activity Topics in Catalysis https://doi.org/10.1007/s11244-018-1068-1
  • Streibel, V., Hävecker, M., Yi, Y., Velasco Vélez, J.J., Skorupska, K., Stotz, E., Knop-Gericke, A., Schlögl, R., Arrigo, R. (2018). In Situ Electrochemical Cells to Study the Oxygen Evolution Reaction by Near Ambient Pressure X-ray Photoelectron Spectroscopy Topics in Catalysis https://doi.org/10.1007/s11244-018-1061-8
  • Lin, Y., Wu, K.-H., Lu, Q., Gu, Q., Zhang, L., Zhang, B., Sheng Su, D., Plodinec, M., Schlögl, R., Heumann, S. (2018). Electrocatalytic Water Oxidation at Quinone-on-Carbon: A Model System Study Journal of the American Chemical Society https://doi.org/10.1021/jacs.8b07627
  • Regenstein, L., Klement, T., Grande, P., Kryenschulte, D., Heyman, B., Maßmann, T., Eggert, A., Sengspiel, R., Wang, Y., Wierckx, N., Blanck, L.M., Spiess, A., Leitner, W., Bolm, C., Wessling, M., Jupke, A., Rosenbaum, M., Büchs, J. (2018). From beech wood to itaconic acid: case study on biorefinery process integration Biotechnology for Biofuels 11, 279-289. https://doi.org/10.1186/s13068-018-1273-y
  • Saric, I., Jurec, J., Reijerse, E., Rakvin, B., Kveder, M. (2018). Impact of disorder on formation of free radicals by gamma-irradiation: Multi-frequency EPR studies of trehalose polymorphs Journal of Physics and Chemistry of Solids 123, 124-132. https://doi.org/10.1016/j.jpcs.2018.07.013
  • Nong, H.N., Reier, T., Oh, H.-S., Gliech, M., Paciok, P., Vu, T.H.T., Teschner, D., Heggen, M., Petkov, V., Schlögl, R., Jones, T., Strasser, P. (2018). A unique oxygen ligand environment facilitates water oxidation in hole-doped IrNiOx core–shell electrocatalysts Nature Catalysis https://doi.org/10.1038/s41929-018-0153-y
  • Deeberg, G., Oles, M., Schlögl, R. (2018). The Project Carbon2Chem® Chemie Ingenieur Technik 90(10), 1365-1368 https://doi.org/10.1002/cite.201800060
  • Nalepa, A., Möbius, K., Plato, M., Lubitz, W., Savitsky, A. (2018). Nitroxide Spin Lables – Magnetic Parameters and Hydrogen-Bond Formation: A High-Field EPR and EDNMR Study Applied Magnetic Resonance https://doi.org/10.1007/s00723-018-1073-3
  • Huang, B., Liu, Y., Huang, X., Xie, Z. (2018). Multiple Heteroatom-Doped Few-Layer Carbons for Electrochemical Oxygen Reduction Reaction Journal of Materials Chemistry A https://doi.org/10.1039/C8TA06743K
  • Schulz, C.E., Dutta, A.K., Izsák, R., Pantazis, D.A. (2018). Systematic High-Accuracy Prediction of Electron Affinities for Biological Quinones Journal of Computational Chemistry https://doi.org/10.1002/jcc.25570 
  • Jens, C.M., Scott, M., Liebergesell, B., Westhaus, C.G., Schäfer, P., Franciò, G., Leonhard, K., Leitner, W., Bardow, A. (2018). Rh-Catalyzed Hydrogenation of CO2 to Formic Acid in DMSO-based Reaction Media: Solved and Unsolved Challenges for Process Development Advanced Synthesis and Catalysis https://doi.org/10.1002/adsc.201801098
  • Schmitz, M., Erken, C., Ohligschläger, A., Schnoor, J.-K., Westhues, N.F., Klankermayer, J., Leitner, W., Liauw, M.A. (2018). Homogeneously Catalyzed Synthesis of (Higher) Alcohols (C1–C4) from the Combination of CO2/CO/H2 Chemie Ingenieur Technik 90(10), 1476-1488. https://doi.org/10.1002/cite.201800053
  • Wernbacher, A.M., Eichelbaum, M., Risse, T., Cap, S., Trunschke, A., Schlögl, R. (2018). Operando Electrical Conductivity and Complex Permittivity Study on Vanadia Oxidation Catalysts The Journal of Physical Chemistry https://doi.org/10.1021/acs.jpcc.8b07417
  • Schmies, H., Hornberger, E., Anke, B., Jurzinsky, T., Nhan Nong, H., Dionigi, F., Kúhl, S., Drnec, J., Lerch, M., Cremers, C., Strasser, P. (2018). The Impact of Carbon Support Functionalization on the Electrochemical Stability of Pt Fuel Cell Catalysts Chemistry of Materials https://doi.org/10.1021/acs.chemmater.8b03612
  • Sen, A., de Souza, B., Huntington, L.M.J., Krupička, M., Neese, F., Izsák, R. (2018). An efficient pair natural orbital based configuration interaction scheme for the calculation of open-shell ionization potentials The Journal of Chemical Physics, 149, 114108. https://doi.org/10.1063/1.5048688
  • Chan, S.-C., Gupta, P., Engelmann, X., Ang, Z.Z., Ganguly, R., Bill, E., Ray, K., Ye, S., England, J. (2018). Observation of Carbodicarbene Ligand Redox Noninnocence in Highly Oxidized Iron Complexes Angewandte Chemie International Edition https://doi.org/10.1002/anie.201809158
  • Kim, J., Nese, V., Joos, J., Jeske, K., Duyckaerts, N., Pfänder, N., Prieto, G. (2018). Directional freeze-cast hybrid-backbone meso-macroporous bodies as micromonolith catalysts for gas-to-liquid processes Journal of Materials Chemistry A https://doi.org/10.1039/c8ta07512c
  • Li, Q., Liu, Z., Zheng, F., Liu, R., Lee, J., Xu, G.-L., Zhong, G., Hou, X., Fu, R., Chen, Z., Amine, K., Mi, J., Wu, S., Grey, C.P., Yang, Y. (2018). Identifying the Structural Evolution of the Sodium Ion Battery Na2FePO4F Cathode Angewandte Chemie International Edition, 57(37), 11918-11923. https://doi.org/10.1002/anie.201805555
  • Bergmann, A., Jones, T.E., Moreno, E.M., Teschner, D., Chernev, P., Gliech M., Reier, T., Dau, H., Strasser, P. (2018). Unified structural motifs of the catalytically active state of Co(oxyhydr)oxides during the electrochemical oxygen evolution reaction Nature Catalysis 1, 711-719. https://doi.org/10.1038/s41929-018-0141-2
  • Martínez-Ferraté, O., Werlé, C., Franciò, G., Leitner, W. (2018). Aminotriazole Mn(I) Complexes as Effective Catalysts for Transfer Hydrogenation of Ketones ChemCatChem, 23, 4514-4518. https://doi.org/10.1002/cctc.201800953 Cover Feature
  • Kundu, S., Dutta, D., Maity, S., Weyhermüller, T., Ghosh, P. (2018). Proton-Coupled Oxidation of a Diarylamine: Amido and Aminyl Radical Complexes of Ruthenium(II) Inorganic Chemistry, 57(19), 11948-11960. https://doi.org/10.1021/acs.inorgchem.8b01401
  • Gehrke, S., Reckien, W., Palazzo, I., Welton, T., Hollóczki, O. (2018). On the Carbene-like Reactions of Imidazolium Acetate Ionic Liquids. Can Theory and Experiments Agree? European Journal of Organic Chemistry https://doi.org/10.1002/ejoc.201801050
  • Levin, N., Codesido N.O., Marcolongo, J.P., Alborés, Weyhermüller, T., Olabe, J.A., Slep, L.D. (2018). Remarkable Changes of the Acidity of Bound Nitroxyl (HNO) in the [Ru(Me3[9]aneN3)(L2)(NO)]n+ Family (n = 1–3). Systematic Structural and Chemical Exploration and Bioinorganic Chemistry Implications Inorganic Chemistry, 57(19), 12270-12281. https://doi.org/10.1021/acs.inorgchem.8b01958
  • Masliuk, L., Swoboda, M., Algara-Siller, G., Schlögl, R., Lunkenbein, T. (2018). A quasi in situ TEM grid reactor for decoupling catalytic gas phase reactions and analysis Ultramicroscopy, 195, 121-128. https://doi.org/10.1016/j.ultramic.2018.09.001
  • Marianski, M., Seo, J., Mucha, E., Thomas, D.A., Jung, S., Schlögl, R., Meijer, G., Trunschke, A., von Helden, G. (2018). Structural Characterization of Molybdenum Oxide Nanoclusters Using Ion Mobility Spectrometry-Mass Spectrometry and Infrared Action Spectroscopy The Journal of Physical Chemistry C https://doi.org/10.1021/acs.jpcc.8b06985
  • Lazaro-Gutierrez, A., Velasco, D., Boldrini, D.E., Yustos, P., Esteban, J., Ladero, M. (2018). Effect of Operating Variables and Kinetics of the Lipase Catalyzed Transesterification of Ethylene Carbonate and Glycerol Fermentation 4(3), 75. https://doi.org/10.3390/fermentation4030075
  • Ben-Shimon, L., Paul, V.D., David-Kadoch, G., Volpe, M., Stümpfig, M., Bill, E., Mühlenhoff, U., Lill, R., Ben-Aroya, S. (2018). Fe-S cluster coordination of the chromokinesin KIF4A alters its subcellular localization during mitosis Journal of Cell Science 131, jcs211433. https://doi.org/10.1242/jcs.211433
  • Ruff, A., Szczesny, J, Marković, Conzuelo, F., Zacarias, S., Pereira, I.A.C., Lubitz, W., Schuhmann, W. (2018). A fully protected hydrogenase/polymer-based bioanode for high-performance hydrogen/glucose biofuel cells Nature Communications 9, 3675. https://doi.org/10.1038/s41467-018-06106-3
  • Greiner, M.T., Jones, T.E., Beeg, S., Zwiener, L., Scherzer, M., Girgsdies, F., Piccinin, S., Armbrüster, Knop-Gericke, A., Schlögl, R. (2018). Free-atom-like d states in single-atom alloy catalysts Nature Chemistry, 10, 1008-1015. https://doi.org/10.1038/s41557-018-0125-5
  • Offner-Marko, L., Bordet, A., Moos, G., Tricard, S., Rengshausen, S., Chaudret, B., Luska, K.L., Leitner, W. (2018). Bimetallic Nanoparticles in Supported Ionic Liquid Phases as Multifunctional Catalysts for the Selective Hydrodeoxygenation of Aromatic Substrates Angewandte Chemie International Edition, 57(39), 12721-12726. https://doi.org/10.1002/anie.201806638
  • Liu, C.-X., Zhang, W.-H., Wang, N., Guo, P., Muhler, M., Wang, Y., Lin, S. Chen, Z., Yang, G. (2018). Highly efficient photocatalytic degradation of dyes by a novel copper-triazolate metal-organic framework Chemistry – A European Journal https://doi.org/10.1002/chem.201803306
  • Schittkowski, J., Ruland, H., Laudenschleger, D., Girod, K., Kähler, K., Kaluza, S., Muhler, M., Schlögl, R. (2018). Methanol Synthesis from Steel Mill Exhaust Gases: Challenges for the Industrial Cu/ZnO/Al2O3 Catalyst Chemie Ingenieur Technik, 90(10), 1419-1429. https://doi.org/10.1002/cite.201800017
  • Guo, P., Froese, C., Chen, Y.-T., Peng, B., Kleist, W., Fischer, R.A., Muhler, M., Wang, Y. (2018). CuPd Mixed-Metal HKUST-1 as Catalyst for Aerobic Alcohol Oxidation The Journal of Physical Chemistry, 122(37), 21433-21440. https://doi.org/10.1021/acs.jpcc.8b05882
  • Kaithal, A., Hölscher, M., Leitner, W. (2018). Catalytic Hydrogenation of Cyclic Carbonates using Manganese Complexes Angewandte Chemie International Edition, 57(41), 13449-13453. https://doi.org/10.1002/anie.201808676
  • Zwiener, L., Girgsdies, F., Schlögl, R., Frei, E. (2018). nvestigations of Cu/Zn Oxalates from Aqueous Solution: Single Phase Precursors and Beyond Chemistry – A European Journal, 25(56), 15080-15088. https://doi.org/10.1002/chem.201803124
  • Cao, J., Wang, Z.-J., Huang, X., Rinaldi, A., Greiner, M., Moldovan, G., Joachimi, W., Schlögl, R., Willinger, M. (2018). The ESEM as In Situ Platform for the Study of Gas-Solid Interactions Microscopy and Microanalysis 24(S1), 344-345. https://doi.org/10.1017/S1431927618002210
  • Leitner, W., Franciò, G., Scott, M., Westhues, C., Langanke, J., Lansing, M., Hussong, C., Erdkamp, E. (2018). Carbon2Polymer – Chemical Utilization of CO2 in the Production of Isocyanates Chemie Ingenieur Technik, 90(10), 1504-1512. https://doi.org/10.1002/cite.201800040
  • Lukashuk, L., Yigit, N., Rameshan, R., Kolar, E., Teschner, D., Hävecker, M., Knop‑Gericke, A., Schlögl, R., Föttinger, K., Repprechter, G. (2018). Operando insights into CO oxidation on cobalt oxide catalysts by NAP-XPS, FTIR and XRD ACS Catalysis, 8(9), 8630-8641. https://doi.org/10.1021/acscatal.8b01237
  • Schlögl, R. (2018). Put the Sun in the Tank: Future Developments in Sustainable Energy Systems Angewandte Chemie International Edition https://doi.org/10.1002/anie.201808799
  • Emondts, M., Schikowski, D., Klankermayer, Schleker, P.P.M. (2018). Non-Pairwise Interactions in Parahydrogen Experiments: Nuclear Exchange of Single Protons Enables Bulk Water Hyperpolarization ChemPhysChem https://doi.org/10.1002/cphc.201800521 Front Cover
  • Macchieraldo, R., Esser, L., Elfgen, R., Voepel, P., Zahn, S., Smarsly, B.M., Kirchner, B. (2018). Hydrophilic Ionic Liquid Mixtures of Weakly and Strongly Coordinating Anions with and without Water ACS Omega 3(8), 8567-8582. https://doi.org/10.1021/acsomega.8b00995
  • Hahn, A.W., Van Kuiken, B.E., Chilkuri, V.G., Levin, N., Bill, E., Weyhermüller, T., Nicolaou, A., Miyawaki, J., Harada, Y., DeBeer, S. (2018). Probing the Valence Electronic Structure of Low-Spin Ferrous and Ferric Complexes Using 2p3d Resonant Inelastic X‑ray Scattering (RIXS) Inorganic Chemistry, 57(37), 11918-11923. https://doi.org/10.1021/acs.inorgchem.8b01550
  • Bulusheva, L.G., Okotrub, A.V., Yashina, L.V., Velasco-Velez, J.J., Usachov, D.Y., Vyalikh, D.V. (2018). X-ray photoelectron spectroscopy study of the interaction of lithium with graphene Physical Sciences Reviews, 3(10), 20180042. https://doi.org/10.1515/psr-2018-0042
  • Abbruzzetti, S., Allegri, A., Bidon-Chanal, A., Ogata, H., Soavi, G., Cerullo, G., Bruno, S., Montali, C., Luque, F.J., Viappiani, C. (2018). Electrostatic Tuning of the Ligand Binding Mechanism by Glu27 in Nitrophorin 7 Scientific Reports 8, 10855. https://doi.org/10.1038/s41598-018-29182-3
  • Henkel, S., Trosien, I., Mieres-Pérez, J., Lohmiller, T., Savitsky, A., Sanchez-Garcia, E., Sander, W. (2018). Reactions of Cyclopentadienylidenes with CF3I: Electron Bond Donation vs. Halogen Bond Donation of the Iodine Atom The Journal of Organic Chemistry, 83(15), 7586-7592. https://doi.org/10.1021/acs.joc.8b01328
  • Saitow, M., Neese, F. (2018). Accurate spin-densities based on the domain-based local pair-natural orbital coupled-cluster theory The Journal of Chemical Physics 149, 034104. https://doi.org/10.1063/1.5027114
  • Gu, Q., Ding, Y., Liu, Z., Lin, Y., Schlögl, R., Heumann, S., Su, D. (2018). Probing the intrinsic catalytic activity of carbon nanotubes for the metal-free oxidation of aromatic thiophene compounds in ionic liquids Journal of Energy Chemistry https://doi.org/10.1016/j.jechem.2018.07.004
  • Saric, I., Jurec, J., Reijerse, E., Rakvin, B., Kveder, M. (2018). Impact of disorder on formation of free radicals by gamma-irradiation: Multi-frequency EPR studies of trehalose polymorphs Journal of Physics and Chemistry of Solids, 123, 124-132. https://doi.org/10.1016/j.jpcs.2018.07.013
  • Moseley, D.H., Stravretis, S.E., Thirunavukkuarasu, K., Ozerov, M., Cheng, Y., Daemen, L.L., Ludwig, J., Lu, Z., Smirnov, D., Brown, C.M., Pandey, A., Ramirez-Cuesta, A.J., Lamb, A.C., Atanasov, M., Bill, E., Neese, F., Xue, Z.-L. (2018). Spin‑phonon couplings in transition metal complexes with slow magnetic relaxation Nature Communications 9, 2572. https://doi.org/10.1038/s41467-018-04896-0
  • Moonshiram, D., Garrido-Barros, Gimbert-Surinach, Picón, Liu, C., Zhang, X., Karnahl, M, Llobet, A. (2018). Elucidating the Nature of the Excited State of a Heteroleptic Copper Photosensitizer Using Time-Resolved X-ray Absorption Spectroscopy Chemistry – A European Journal, 24(24), 6464-6472. https://doi.org/10.1002/chem.201800330
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  • Deutz, S., Bongartz, D., Heuser, B., Katelhon, A., Langenhorst, L. S., Omari, A., Walters, M., Diaeresis, S., Leitner, W., Mitsos, A., Pischinger, S., Bardow, A. (2018). Cleaner production of cleaner fuels: wind-to-wheel - environmental assessment of CO2-based oxymethylene ether as a drop-in fuel Energy Environmental Science, 11, 331-343. https://doi.org/10.1039/C7EE01657C  Back Cover
  • Chakrapani, K., Özcan, F., Ortega, K.F., Machowski, T., Behrens, M. (2018). Composition-Dependent Effect of the Calcination of Cobalt-, Nickel-, and Gallium-Based Layered Double Hydroxides to Mixed Metal Oxides in the Oxygen Evolution Reaction ChemElectroChem, 5(1), 93-100. https://doi.org/10.1002/celc.201700936
  • Gehrke, S., von Domaros, M., Clark, R., Holloczki, O., Brehm, M., Welton, T., Luzar, A., Kirchner, B. (2018). Structure and lifetimes in ionic liquids and their mixture Faraday Discussions, 206, 219-245. https://doi.org/10.1039/C7FD00166E
  • Carbonio, E.A., Rocha, T.C.R., Klyushin, A.Y., Pis, I., Magnano, E., Nappini, S., Piccinin, S., Knop-Gericke, A., Schlögl, R., Jones, T.E. (2018). Are multiple oxygen species selective in ethylene epoxidation on silver Chemical Science, 9, 990-998. https://doi.org/10.1039/C7SC04728B
  • Dutta, A.K., Nooijen, M., Neese, F., Izsák, R. (2018). Exploring the Accuracy of a Low Scaling Similarity Transformed Equation of Motion Method for Vertical Excitation Energies Journal of Chemical Theory and Computation, 14 (1), 72-91. https://doi.org/10.1021/acs.jctc.7b00802
  • Dutta, A.K., Neese, F., Izsák, R. (2018). Accelerating the coupled-cluster singles and doubles method using the chain-of-sphere approximation Molecular Physics, 116(11), 1429-1434. https://doi.org/10.1080/00268976.2017.1416201
  • Chakrapani, K., Bendt, G., Hajiyani, H., Lunkenbein, T., Greiner, M.T., Masliuk, L., Salamon, S., Landers, J., Schlögl, R., Wende, H., Pentcheva, R., Schulz, S., Behrens, M. (2018). The Role of Composition of Uniform and Highly Dispersed Cobalt Vanadium Iron Spinel Nanocrystals for Oxygen Electrocatalysis ACS Catalysis, 8(2), 1259-1267. https://doi.org/10.1021/acscatal.7b03529
  • Voloshin, Y.Z. N., V.V., Nelyubina, Y.V., Belov, A.S., Roitershtein, D.M., Savitsky, A., Mokhir, A., Sutter, J., Miehliche, M.E., Meyer, K. (2018). Synthesis and Characterization of an Fe(I) Cage Complex with High Stability Towards Strong H-Acids Chemical Communications, 54 , 3436-3439. https://doi.org/10.1039/C7CC09611A Front Cover
  • Römelt, C., Ye, S., Bill, E., Weyhermuller, T., van Gastel, M., Neese, F. (2018). Electronic Structure and Spin Multiplicity of Iron Tetraphenylporphyrins in Their Reduced States as Determined by a Combination of Resonance Raman Spectroscopy and Quantum Chemistry Inorganic Chemistry, 57(4), 2141-2148. https://doi.org/10.1021/acs.inorgchem.7b03018
  • Krasowska, M., Bettinger, H.F. (2018). Computational Study of the Isomerization Reactions of Borirane The Journal of Organic Chemistry, 83(4), 1804-1809. https://doi.org/10.1021/acs.joc.7b02715
  • Vandezande, J.E., Schaefer, H.F. (2018). CO2 Reduction Pathways on MnBr(N-C)(CO)3 Electrocatalysts Organometallics, 37(3), 337-342. https://doi.org/10.1021/acs.organomet.7b00743
  • Wiegand, K., Winkler, M., Rumpel, S., Kannchen, D., Rexroth, S., Hase, T., Farès, C., Happe, T., Lubitz, W., Rögner, M. (2018). Rational redesign of the ferredoxin-NADP+-oxido-reductase/ferredoxin-interaction for photosynthesis-dependent H2-production Biochemica et Biophysica Acta - Bioenergetics, 1859, 253-262. https://doi.org/10.1016/j.bbabio.2018.01.006
  • Bianco, C.L. Savitsky, A., Feelisch, M., Cortese-Krott , M.M. (2018). Investigations on the role of hemoglobin in sulfide metabolism by intact human red blood cells Biochemical Pharmacology, 149, 163-173. https://doi.org/10.1016/j.bcp.2018.01.045
  • Chen, H., Wedi, P., Meyer, T., Tavakoli, G., van Gemmeren, M. (2018). Dual Ligand-Enabled Nondirected C−H Olefination of Arenes Angewandte Chemie International Edition, 57(9), 2497-2501. https://doi.org/10.1002/anie.201712235 Inside Cover
  • Düngen, P., Schlögl, R., Heumann, S. (2018). Non-linear thermogravimetric mass spectrometry of carbon materials providing direct speciation separation of oxygen functional groups Carbon, 130, 614-622. https://doi.org/10.1016/j.carbon.2018.01.047
  • Schmies, H., Bergmann, A., Drnec, J., Wang, G.X., Teschner, D., Kuhl, S., Sandbeck, D.J.S., Cherevko, S., Gocyla, M., Shviro, M., Heggen, M., Ramani, V., Dunin-Borkowski, R.E., Mayrhofer, K.J.J., Strasser, P. (2018). Unravelling degradation pathways of oxide-supported Pt fuel cell nanocatalysts under in situ operating conditions Advanced Energy Materials, 8(4), 1701663. https://doi.org/10.1002/aenm.201701663
  • Milić, J., Zalibera, M., Talaat, D., Nomrowski, J., Trapp, N., Ruhlmann, L., Boudon, C., Wenger, O.S., Savitsky, A., Lubitz, W., Diederich, F. (2018). Photoredo-switchable Resorcin[4]arene cavitands: radical control of molecular gripping machinery via hydrogen bonding Chemistry - A European Journal, 24, 1431-1440. https://doi.org/10.1002/chem.201704788
  • Artz, J., Müller, T.E., Thenert, K., Kleinekorte, J., Meys, R., Sternberg, A., Bardow, A., Leitner, W. (2018). Sustainable conversion of carbon dioxide: an integrated review of catalysis and life cycle assessment Chemical Reviews, 118 (2), 434-504. https://doi.org/10.1021/acs.chemrev.7b00435
  • Greiner, M.T., Cao, J., Jones, T.E., Beeg, S., Skorupska, K., Carbonio, E.A., Sezen, H., Amati, M., Gregoratti, L., Willinger, M.G., Knop-Gericke, A., Schlögl, R. (2018). Phase coexistence of multiple copper oxides on AgCu catalysts during ethylene epoxidation ACS Catalysis, 8(3), 2286-2295. https://doi.org/10.1021/acscatal.7b04187
  • Palluccio, T.D., Cai, X.C., Majumdar, S., Serafim, L.F., Tomson, N.C., Wieghardt, K., Cazin, C.S.J., Nolan, S.P., Rybak-Akimova, E.V., Fernandez-Gonzalez, M.A., Temprado, M., Captain, B., Hoff, C.D. (2018). Ligand-Directed Reactivity in Dioxygen and Water Binding to cis-[Pd(NHC)22-O2)] Journal of American Chemical Society, 140(1), 264-276. https://doi.org/10.1021/jacs.7b09905
  • Casitas, A., Krause, H., Lutz, S., Goddard, R., Bill, E., Fürstner, A. (2018). Ligand exchange on and allylic C-H activation by Iron(0) fragments: π-complexes, allyliron species, and metallacycles Organometallics, 37(5), 729-739. https://doi.org/10.1021/acs.organomet.7b00571
  • Heenemann, M., Heine, C., Hävecker, M., Trunschke, A., Schlögl, R. (2018). Influence of Steam on a Vanadyl Pyrophosphate Catalyst during Propane Oxidation Journal of Physical Chemistry B, 122(2), 695-704. https://doi.org/10.1021/acs.jpcb.7b06314
  • Velasco-Velez, J.J., Skorupska, K., Frei, E., Huang, Y.C., Dong, C.L., Su, B.J., Hsu, C.J., Chou, H.Y., Chen, J. M., Strasser, P., Schlögl, R., Knop-Gericke, A., Chuang, C.H. (2018). The Electro-Deposition/Dissolution of CuSO4 Aqueous Electrolyte Investigated by In Situ Soft X-ray Absorption Spectroscopy Journal of Physical Chemistry B, 122(2), 780-787. https://doi.org/10.1021/acs.jpcb.7b06728
  • Huang, G Y., Xiaohui, Y., Jang, J., Guillou, O., Cador, O.: Pointillart, F., Le Guennic, B., Bernot, K. (2018). Optimization of Magnetic Relaxation and Isotopic Enrichment in Dimeric DyIII Single Molecule Magnets European Journal of Inorganic Chemistry, 3-4, 326-332. https://doi.org/10.1002/ejic.201700842
  • Haskamp, V., Karrie, S., Mingers, T., Barthels, S., Alberge, F., Magalon, A., Muller, K., Bill, E., Lubitz, W., Kleeberg, K., Schweyen, P., Broring, M., Jahn, M., Jahn, D. (2018). The radical SAM protein HemW is a heme chaperone The Journal of Biological Chemistry, 293(7), 2558-2572. https://doi.org/10.1074/jbc.RA117.000229
  • Huang, G., Wagner, T., Ermler, U., Bill, E., Ataka, K., Shima, S. (2018). O2 sensitivity of [Fe]-hydrogenase in the Presence of Reducing Substrates Angewandte Chemie International Edition, 57(18), 4917-4920. https://doi.org/10.1002/anie.201712293
  • Moonshiram, D., Garrido-Barros, P., Gimbert-Surinach, C., Picón, A., Liu, C., Zhang, X., Karnahl, M., Liobet. A. (2018). Elucidating the Nature of the Excited State of a Heteroleptic Copper Photosensitizer Using Time-Resolved X-ray Absorption Spectroscopy Chemistry - A European Journal, 24(23), 6464-6472. https://doi.org/10.1002/chem.201800330
  • Oughli, A.A., Ruff, A., Boralugodage, N.P., Rodríguez-Maciá, P., Plumere, N., Lubitz, W., Shaw, W.J., Schuhmann, W., Rüdiger, O. (2018). Dual properties of a hydrogen oxidation Ni-catalst entrapped within a polymer promote self-defense against oxygen Nature Communications, 9, 864. https://doi.org/10.1038/s41467-018-03011-7
  • Genovese, C., Schuster, M.E., Gibson, E.K., Gianolio, D., Posligua, V., Grau-Crespo, R., Cibin, G., Wells, P.P., Garai, D., Solokha, V., Calderon, S.K., Velasco-Velez, J.J., Ampelli, C., Perathoner, S., Held, G., Centi, G., Arrigo, R. (2018). Operando spectroscopy study of the carbon dioxide electro-reduction by iron species on nitrogen-doped carbon Nature Communications, 9, 935. https://doi.org/10.1038/s41467-018-03138-7
  • Vogelsang, D., Faβbach, T.A., Kossmann, P.P., Vorholt, A.J. (2018). Terpene-Derive Highly Branched C30-Amines via Palladium-Catalysed Telomerisation of β-Farnesene Advanced Synthesis & Catalysis, 360(10), 1987-1991. https://doi.org/10.1002/adsc.201800089
  • Rumpel, S., Sommer, C., Reijerse, E., Farès, C., Lubitz, W. (2018). Direct Detection of the Terminal Hydride Intermediate in [FeFe] Hydrogenase by NMR Spectroscopy Journal of American Chemical Society, 140(1), 3863-3866. https://doi.org/10.1021/jacs.8b00459
  • Faβbach, T.A., Sommer, F.O., Vorholt, A.J. (2018). Hydroaminomethylation in Aqueous Solvent Systems - An Efficient Pathway To Highly Functionalized Amines Advanced Synthesis & Catalysis, 360 (7), 1473-1482. https://doi.org/10.1002/adsc.201701463
  • Geier, D.I., Schmitz, P., Walkowiak, J., Leitner, W., Franciò, G. (2018). Continuous Flow Asymmetric Hydrogenation with Supported Ionic Liquid Phase Catalysts Using Modified CO2 as the Mobile Phase: from Model Substrate to an Active Pharmaceutical Ingredient ACS Catalysis, 8, 3297-3303. https://doi.org/10.1021/acscatal.8b00216
  • Kortewille, B., Wachs, I.E., Cibura, N., Pfingsten, O., Bacher, G.,. Muhler, M., Strunk, J. (2018). Proof of equivalent catalytic functionality upon photon-induced and thermal activation of supported isolated vanadia species in methanol oxidation ChemCatChem, 10(11), 2360-2364. https://doi.org/10.1002/cctc.201800311 Front Cover
  • Böhnke, J., Dellermann, T., Celik, M.A., Krummenacher, I., Dewhurst, R.D., Demeshko, S., Ewing, W.C., Hammond, K., Hess, M., Bill, E., Welz, E., Rohr, M.I., Mitric, R., Engels, B., Meyer, F., Braunschweig, H. (2018). Isolation of diborenes and their 90°-twisted diradical congeners Nature Communications, 9, 1197. https://doi.org/10.1038/s41467-018-02998-3
  • Straten, J.W., Schlecker., P., Krasowska, M., Veroutis, E., Granwehr, J., Auer, A.A., Hateba, W., Becker, S., Schlögl, R., Heumann, S. (2018). N-Funtionalized Hydrothermal Carbon Materials using Urotropine as N-Precursor Chemistry - A European Journal, 24(47), 12298-12317. https://doi.org/10.1002/chem.201800341
  • Tsuji, N., Kennemur, J., Buyck, T., Lee, S., Prévost, S., Kaib, P.S.J., Bykov, D., Farès, C., List, B., (2018). Activation of olefins via asymmetric Bronsted acid catalysis Science, 359(6383), 1501-1505. https://doi.org/10.1126/science.aaq0445
  • Sommer, C., Richers., C.P., Lubitz, W., Rauchfuss, T.B., Reijerse. E.J. (2018). A [RuRu] Analogue of an [FeFe]‐Hydrogenase Traps the Key Hydride Intermediate of the Catalytic Cycle Angewandte Chemie International Edition, 57(19), 5429-5432. https://doi.org/10.1002/anie.201801914
  • Caserta, C., Papini, C., Adamska-Venkatesh, A., Pecqueur, L., Sommer, C., Reijerse, E., Lubitz, W., Gauquelin, I., Meynial-Salles, I, Pramanik, D., Artero, V., Atta, M., del Barrio, M., Faivre, V., Leger, C., Fontecava, M. (2018). Engineering an [FeFe]-hydrogenase: do accessory clusters influence O2 resistance and catalytic bias? Journal of American Chemical Society, 140(16), 5516-5526. https://doi.org/10.1021/jacs.8b01689
  • Van Stappen, C., Lehnert, N. (2018). Mechanism of N-N Bond Formation by Transition Metal-Nitrosyl Complexes: Modeling Flavodiiron Nitric Oxide Reductases Inorganic Chemistry, 57(8), 4252-4269. https://doi.org/10.1021/acs.inorgchem.7b02333
  • Mechler, A.K., Sahraie, N.R., Armel, V., Zitolo, A., Sougrati, M.T., Schwämmlein, J.N., Jones, D.J., Jaouen, F. (2018). Stabilization of Iron-Based Fuel Cell Catalysts by Non-Catalytic Platinum Journal of The Electrochemical Society 165(13), F1084-F1091. https://doi.org/10.1149/2.0721813jes
  • Paulus, M.C., Graf, M.C., Harks, P.P.R.M.L, Paulus, A., Schleker, P.P.M., Notten, P.H.L., Eichel, R.-A., Granwehr, J. (2018). Investigation of the Li-ion conduction behavior in the Li10GeP2S12 solid electrolyte by two-dimensional T1-spin alignment echo correlation NMR Journal of Magnetic Resonance 294, 133-142. https://doi.org/10.1016/j.jmr.2018.07.008
  • Lee, J., Monserrat, B., Seymour, I.D., Liu, Z., Dutton, S.E., Grey, C.P. (2018). An ab initio investigation on the electronic structure, defect energetics, and magnesium kinetics in Mg3Bi2 Journal of Materials Chemistry A 6, 16983-16991. https://doi.org/10.1039/c7ta11181a
  • Deerberg, G., Oles, M., Schlögl, R. (2018). Sustainable solutions and technical Implementation on a large Scale are needed quickly to achieve the Climate Goals Chemie Ingenieur Technik 90(10), 1351. https://doi.org/10.1002/cite.201871002

 

Book chapters

  • Schmitz, M., Solmi, M.V., Leitner, W. (2018). Catalytic Processes Combining CO2 and Alkenes into Value-Added Chemicals Topics in Organometallic Chemistry https://doi.org/10.1007/3418_2018_24
  • Neese, F. (2018). Interplay of high-level spectroscopy and quantum chemistry: a powerful tool to unravel enzymatic reaction mechanisms Catalysis in Chemistry and Biology – Proceedings of the 24th International Solvay Conference in Chemistry, 295-302 https://doi.org/10.1142/10907
  • Klyushin, A., Arrigo, R., Pfeifer, V., Jones, T., Velasco-Velez, J-J., Knop-Gericke, A. (2018). Catalyst Electronic Surface Structure Under Gas and Liquid Environments, Encyclopedia of Interfacial Chemistry: Surface Science and Electrochemistry, Vol.1.2: Surface Science under Environmental Conditions, 615-631. https://doi.org/10.1016/B978-0-12-409547-2.13739-4
  • DeBeer, S. (2018). Advanced X-ray Spectroscopic Methods for Studying Iron-Sulfur-Containing Proteins and Model Complexes Methods Enzymol. Fe-S Cluster Enzymes Part B, 599, 427-450. https://doi.org/10.1016/bs.mie.2017.09.008
  • Freibert, S.-A. Weiler, B.D., Bill, E., Pierik, A.J., Mühlenhoff, U., Lill, R. (2018). Biochemical Reconstitution and Spectroscopic Analysis of Iron-Sulfur Proteins Methods Enzymol. Fe-S Cluster Enzymes Part B, 599, 197-226. https://doi.org/10.1016/bs.mie.2017.11.034
  • Neese, F. (2018). Quantum Chemistry and EPR Parameters EPR Spectroscopy: Fundamentals and Methods chapter 7, 6(1), 115-142. https://doi.org/10.1002/9780470034590.emrstm1505
  • Reijerse, E., Savitsky, A. (2018). Electron Paramagnetic Resonance Instrumentation EPR Spectroscopy: Fundamentals and Methods chapter 12, 6(1), 235-260. https://doi.org/10.1002/9780470034590.emrstm1511

 

Reports

  • Schlögl, R., Abanades, C., Aresta, M., Azapagic, A., Blekkan, E.A., Cantat, T., Centi, G., Duic, N., El Khamlichi, A., Hutchings, G., Mazzotti, M., Olsbye, U., Mikulcic, H., Caristan, Y., Gehrisch, W. (2018). Novel carbon capture and utilization technologies: research and climate aspects SAPEA Evidence Review Report No. 2 https://doi.org/10.26356/CARBONCAPTURE