Publikationen / Publications

2020

Journals

  • Ghosh, K.K., Uttry, A., Mondal, A., Ghiringhelli, F., Wedi, P., van Gemmeren, M. (2020). Ligand-Enabled γ-C(sp3)–H Olefination of Free Carboxylic Acids Angewandte Chemie International Edition https://doi.org/10.1002/anie.202002362
  • Van Stappen, C., Decamps, L., Cutsail III, G.E., Bjornsson, R., Henthorn, J.T., Birrell, J.A., DeBeer, S. (2020). The Spectroscopy of Nitrogenases Chemical Reviews https://doi.org/10.1021/acs.chemrev.9b00650
  • Erken, C., Hindemith, C., Weyhermüller, T., Hölscher, M., Werlé, C., Leitner, W. (2020). Hydroamination of Aromatic Alkynes to Imines Catalyzed by Pd(II)–Anthraphos Complexes ACS Omega https://doi.org/10.1021/acsomega.0c00562
  • Moos, G., Emondts, M., Bordet, A., Leitner, W. (2020). Selective Hydrogenation and Hydrodeoxygenation of Aromatic Ketones to Cyclohexane Derivatives Using a Rh@SILP Catalyst Angewandte Chemie International Edition https://doi.org/10.1002/anie.201916385
  • Lamoth, M., Jones, T., Plodinec, M., Machoke, A., Wrabetz, S., Krämer, M., Karpov, A., Rosowski, F., Piccinin, S., Schlögl, R., Frei. E. (2020). Nano catalysts unravel the selective state of Ag ChemCatChem https://doi.org/10.1002/cctc.202000035
  • Ruland, H., Song, H., Laudenschleger, D., Stürmer, S., Schmidt, S., He, J., Kähler, K., Muhler, M., Schlögl, R. (2020). CO2 hydrogenation with Cu/ZnO/Al2O3: A benchmark study ChemCatChem https://doi.org/10.1002/cctc.202000195
  • Spiller, N., Chilkuri, V.G., DeBeer, S., Neese, F. (2020). Sulfur vs. Selenium as Bridging Ligand in Di‐Iron Complexes: A Theoretical Analysis European Journal of Inorganic Chemistry https://doi.org/10.1002/ejic.202000033 
  • Cox, N., Pantazis, D.A., Lubitz, W. (2020). Current Understanding of the Mechanism of Water Oxidation in Photosystem II and Its Relation to XFEL Data Annual Review of Biochemistry https://doi.org/10.1146/annurev-biochem-011520-104801
  • Thorarinsdottir, A.E, Bjornsson, R., Harris, T.D. (2020).  Insensitivity of Magnetic Coupling to Ligand Substitution in a Series of Tetraoxolene Radical-Bridged Fe2 Complexes Inorganic Chemistry 59(7), 4634-4649. https://doi.org/10.1021/acs.inorgchem.9b03736
  • Maganas, D., Kowalska, J.K., Van Stappen, C., DeBeer, S., Neese, F. (2020). Mechanism of L2,3-edge X-Ray Magnetic Circular Dichroism Intensity from Quantum Chemical Calculations and Experiment - A case study on V(IV)/V(III) complexes The Journal of Chemical Physics 152(11), 114107.  https://doi.org/10.1063/1.5129029 
  • Zeradjanin, A.R., Polymeros, G., Toparli, C., Ledendecker, M., Hodnik, N., Erbe, A., Rohwerder, M., LaMantia, F. (2020). What is the Trigger for the Hydrogen Evolution Reaction? – Towards Electrocatalysis Beyond the Sabatier Principle Physical Chemistry Chemical Physics https://doi.org/10.1039/D0CP01108H
  • Kass, D., Corona, T., Warm, K., Braun-Cula, B., Kuhlmann, U., Bill, E., Mebs, S., Swart, M., Dau, H., Haumann, M., Hildebrandt, P., Ray, K. (2020). Stoichiometric formation of an oxoiron(IV) complex by a soluble methane monooxygenase type activation of O2 at an iron(II)-cyclam centre Journal of the American Chemical Society 142(13), 5924-5928. https://doi.org/10.1021/jacs.9b13756
  • Sandoval-Diaz, L., Plodinec, M., Ovanov, D., Poitel, S., Hammud, A., Nerl, H.C., Schlögl, R., Lunkenbein, T. (2020). Visualizing the importance of oxide-metal phase transitions in the production of synthesis gas over Ni catalysts Journal of Energy Chemistry https://doi.org/10.1016/j.jechem.2020.03.013
    Lunkenbein, T., Masliuk, L., Plodinec, M., Algara-Siller, G., Jung, S., Jastak, M., Kube, P., Trunschke, A., Schlögl, R. (2020). Site specific and localized structural displacements in open structured multimetallic oxides Nanoscale 12(12), 6759-6766. https://doi.org/10.1039/C9NR09041J
  • Wu, X., Lin, Y., Ji, Y., Zhou, D., Liu, Z., Sun, X. (2020). Insights into the Enhanced Catalytic Activity of Fe-Doped LiCoPO4 for the Oxygen Evolution Reaction ACS Applied Energy Materials 3(3), 2959-2965. https://doi.org/10.1021/acsaem.0c00036
  • Plodinec, M., Nerl, H.C., Farra, R., Willinger, M.G., Stotz, E., Schlögl, R., Lunkenbein, T. (2020). Versatile Homebuilt Gas Feed and Analysis System for Operando TEM of Catalysts at Work Microscopy and Microanalysis https://doi.org/10.1017/S143192762000015X
  • Aramendía, P., Braslavsky, S.E., Lagorio, M.G. (2020). Enrique San Román (1945 – 2019) Photochemistry and Photobiology https://doi.org/10.1111/php.13259
  • Wilde, P., Dieckhöfer, S., Quast, T., Xiang, W., Bhatt, A., Chen, Y.-T., Seisel, S., Barwe, S., Andronescu, C., Li, T., Schuhmann, W., Masa, J. (2020). Insights into the formation, chemical stability and activity of transient NiyP@NiOx core-shell heterostructures for the oxygen evolution reaction ACS Applied Energy Materials 3(3), 2304-2309. https://doi.org/10.1021/acsaem.9b02481
  • Böhme, M., Jochim, A., Rams, M., Lohmiller, T., Suckert, S., Schnegg, A., Plass, W., Näther, C. (2020). Variation of the Chain Geometry in Isomeric 1D Co(NCS)2 Coordination Polymers and Their Influence on the Magnetic Properties Inorganic Chemistry https://doi.org/10.1021/acs.inorgchem.9b03357
  • Plodinec, M., Nerl, H.C., Girgsdies, F., Schlögl, R., Lunkenbein, T. (2020). Insights into Chemical Dynamics and Their Impact on the Reactivity of Pt Nanoparticles during CO Oxidation by Operando TEM ACS Catalysis 10(5), 3183-3193. https://doi.org/10.1021/acscatal.9b03692
  • Kim, J., Pfänder, N., Prieto, G. (2020). Recycling of CO2 via hydrogenation of carbonate derivatives to methanol: tuning copper‐oxide promotion effects in supported catalysts ChemSusChem https://doi.org/10.1002/cssc.202000166
  • Esteban, J., Vorholt, A.J., Leitner, W. (2020). An overview of the biphasic dehydration of sugars to 5-hydroxymethylfurfural and furfural: a rational selection of solvents using COSMO-RS and selection guides Green Chemistry 22(7), 2097-2128. https://doi.org/10.1039/C9GC04208C
  • Li, H., Münchberg, U., Oughli, A.A., Buesen, D., Lubitz, W., Freier, E., Plumeré, N. (2020). Suppressing hydrogen peroxide generation to achieve oxygen-insensitivity of a [NiFe] hydrogenase in redox active films Nature Communications 11, 920. https://doi.org/10.1038/s41467-020-14673-7
  • Tarasov, A.V., Klyushin, A.Y., Friedrich, M., Girgsdies, F., Schlögl, R., Frei, E. (2020). Oxygen Diffusion in Cu-based Catalysts: A Probe for Metal Support Interactions Applied Catalysis A: General 594, 117460. https://doi.org/10.1016/j.apcata.2020.117460
  • Fu, Q., Peng, B., Masa, J., Chen, Y.-T., Xia, W., Schuhmann, W., Muhler, M. (2020). Synergistic effect of molybdenum and tungsten in highly mixed carbide nanoparticles as effective catalysts in the hydrogen evolution reaction under alkaline and acidic conditions ChemElectroChem 7(4), 983-988. https://doi.org/10.1002/celc.202000047
  • Helling, C., Cutsail III, G.E., Weinert, H., Wölper, C., Schulz, S. (2020). Ligand Effects on the Electronic Structure of Heteroleptic Antimony‐centered Radicals Angewandte Chemie International Edition https://doi.org/10.1002/anie.202000586
  • Estes, D.P., Leutzsch, M., Schubert, L., Bordet, A., Leitner, W. (2020). The Effect of Ligand Electronics on the Reversible Catalytic Hydrogenation of CO2 to Formic Acid using Ruthenium Polyhydride Complexes: A Thermodynamic and Kinetic Study ACS Catalysis 10(5), 2990-2998. https://doi.org/10.1021/acscatal.0c00404
  • Ma, Y., Pang, Y., Chabbra, S., Reijerse, E.J., Schnegg, A., Niski, J., Leutzsch, M., Cornella, J. (2020). Radical C‒N Borylation of Aromatic Amines Enabled by a Pyrylium Reagent Chemistry – A European Journal 26(17), 1827-1834. https://doi.org/10.1002/chem.202000412
  • Terhorst, M., Kampwerth, A., Marschand, A., Vogt, D., Vorholt, A.J., Seidensticker, T. (2020). Facile catalyst recycling by thermomorphic behaviour avoiding organic solvents: a reactive ionic liquid in the homogeneous Pd-catalysed telomerisation of the renewable β-myrcene Catalysis Science & Technology 10(6), 1827-1834. https://doi.org/10.1039/C9CY02569C
  • Regenauer, N.I., Settele, S., Bill, E., Wdepohl, H., Roşca, D.-A. (2020). Bis(imino)pyrazine-Supported Iron Complexes: Ligand-Based Redox Chemistry, Dearomatization, and Reversible C–C Bond Formation Inorganic Chemistry https://doi.org/10.1021/acs.inorgchem.9b03665
  • Da Silva, F.F., Thorman, R.M., Bjornsson, R., Lu, H., McElwee-White, L., Ingólsson, O. (2020). Dissociation of the FEBID precursor cis-Pt(CO)2Cl2 driven by low-energy electrons Physical Chemistry Chemical Physics 22(11), 6100-6108. https://doi.org/10.1039/C9CP06633K Back cover
  • Zimmerman, J.B., Anastas, P.T., Erythropel, H.C., Leitner, W. (2020). Designing for a green chemistry future Science 367(6476), 397-400. https://doi.org/10.1126/science.aay3060
  • Carbonio, E.A., Velasco-Vélez, J.J., Schlögl, R., Knop-Gericke, A. (2020). Perspective—Outlook on Operando Photoelectron and Absorption Spectroscopy to Probe Catalysts at the Solid-Liquid Electrochemical Interface Journal of the Electrochemical Society 167(5), 054509. https://doi.org/10.1149/1945-7111/ab68d2
  • Jung J., Loeffler, S., Langmann, J., Heinemann, F.W., Bill, E., Bistoni, G., Scherer, W., Atanasov, M., Meyer, K., Neese, F. (2020). Dispersion Forces Drive the Formation of Uranium-Alkane Adducts Journal of the American Chemical Society 142(4), 1864-1870. https://doi.org/10.1021/jacs.9b10620
  • Xu, X., Port, A., Wiebeler, C., Zhao, K-H., Schapiro, I., Gärtner, W. (2020). Structural elements regulating the photochromicity in a cyanobacteriochrome Proceedings of the National Academy of Sciences of the United States of America 117(5), 2432-2440. https://doi.org/10.1073/pnas.1910208117
  • El Sayed, S., Bordet, A., Weidenthaler, C., Hetaba, W., Luska, K., Leitner, W. (2020) Selective Hydrogenation of Benzofurans using Lewis Acid Modified Ruthenium-SILP Catalysts ACS Catalysis 10(3), 2124-2130. https://doi.org/10.1021/acscatal.9b05124
  • Park, H., Uluca-Yazgi, B., Heumann, S., Schlögl, R., Granwehr, J., Heise, H., Schleker, P.P.M. (2020). Heteronuclear cross-relaxation effect modulated by the dynamics of N-functional groups in the solid state under 15N DP-MAS DNP Journal of Magnetic Resonance 312, 106688. https://doi.org/10.1016/j.jmr.2020.106688
  • Ham, K., Shin, D., Lee, J. (2020). The Role of Lone Pair Electrons in Pt‐N Interactions for the Oxygen Reduction in Polymer Exchange Membrane Fuel Cells ChemSusChem https://doi.org/10.1002/cssc.201903403
  • Chen, D., Mewafy, B., Paloukis, F., Zhong, L., Papaefthimiou, V., Dintzer, T., Papazisi, K.M., Balomenou, S.P., Tsiplakides, D., Teschner, D., Pérez-Dieste, V., Escudero, C., Zafeiratos, S. (2020). Revising the role of chromium on the surface of perovskite electrodes: Poison or promoter for the solid oxide electrolysis cell performance? Journal of Catalysis 381, 520-529. https://doi.org/10.1016/j.jcat.2019.11.032
  • Sarma, B.B., Kim, J., Amsler, J., Agostini, G., Weidenthaler, C., Pfänder, N., Arenal, R., Concepción, P., Plessow, P., Studt, F., Prieto, G. (2020). One‐pot cooperation of single‐atom Rh and Ru solid catalysts for a selective tandem olefin isomerization‐hydrosilylation process Angewandte Chemie International Edition 59(14), 5806-5815. https://doi.org/10.1002/anie.201915255
  • Krzystek, J., Schnegg, A., Aliabadi, A., Holldack, K., Stoian, S.A., Ozarowski, A., Hicks, S.D., Abu Omar, M.M., Thomas, K.E., Ghosh, A., Caulfield, K.P., Tonzetich, Z.J., Telser, J. (2020). Advanced Paramagnetic Resonance Studies on Manganese and Iron Corroles with a Formal d4 Electron Count Inorganic Chemistry 59(2), 1075-1090. https://doi.org/10.1021/acs.inorgchem.9b02635
  • Anke, S., Falk, T., Bendt, G., Sinev, I., Hävecker, M., Antoni, H., Zegkinoglou, I., Jeon, H., Knop-Gericke, A., Schlögl, R., Cuenya, B.R., Schulz, S., Muhler, M. (2020). On the reversible deactivation of cobalt ferrite spinel nanoparticles applied in selective 2-propanol oxidation Journal of Catalysis 382, 57-68. https://doi.org/10.1016/j.jcat.2019.12.007
  • Dinda, S., Patra, S.C., Roy, S., Halder, S., Weyhermüller, T., Pramanik, K., Ganguly, S. (2020). Coligand driven diverse organometallation in benzothiazolyl-hydrazone derivatized pyrene: ortho vs peri C–H activation New Journal of Chemistry 44(4), 1407-1417. https://doi.org/10.1039/c9nj05088d
  • Birrell, J.A., Pelmenschikov, V., Mishra, N., Wang, H., Yoda, Y., Tamasaku, K., Rauchfuss, T.B., Cramer, S.P., Lubitz, W., DeBeer, S. (2020). Spectroscopic and Computational Evidence that [FeFe] Hydrogenases Operate Exclusively with CO-bridged Intermediates Journal of the American Chemical Society 142(1), 222-232. https://doi.org/10.1021/jacs.9b09745
  • Stahl, B., Bredow, T. (2020). Critical Assessment of the DFT+ U Approach for the Prediction of Vanadium Dioxide Properties Journal of Computational Chemistry 41(3), 258-265. https://doi.org/10.1002/jcc.26096
  • Schweinar, K., Nicholls, R.L., Rajamathi, C.R., Zeller, P., Amati, M., Gregoratti, L., Raabe, D., Greiner, M., Gault, B., Kasian, O. (2019). Probing catalytic surfaces by correlative scanning photoemission electron microscopy and atom probe tomography Journal of Materials Chemistry A 8(1), 388-400. https://doi.org/10.1039/c9ta10818a
  • Mondal, B., Ye, S. (2020). Hidden ligand noninnocence: A combined spectroscopic and computational perspective Coordination Chemistry Reviews 405, 213115. https://doi.org/10.1016/j.ccr.2019.213115
  • Cutsail III, G.E., Blaesi, E.J., Pollock, C.J., Bollinger Jr, J.M., Krebs, C., DeBeer, S. (2020). High-resolution iron X-ray absorption spectroscopic and computational studies of non-heme diiron peroxo intermediates Journal of Inorganic Biochemistry 203, 110877. https://doi.org/10.1016/j.jinorgbio.2019.110877
  • Zhang, L., Ding, Y., Koh, Y.E., Mun, B.S., Wu, K.-H., Niu, Y., Shi, W., Zhang, B. (2020). Probing the origin of the enhanced catalytic performance of sp3@sp2 nanocarbon supported Pd catalyst for CO oxidation Carbon 156, 463-469. https://doi.org/10.1016/j.carbon.2019.09.075 
  • Ott, S., Orfanidi, A., Schmies, H., Anke, B., Nong, H.N., Hübner, J., Gernert, U., Gliech, M., Lerch, M., Strasser, P. (2020). Ionomer distribution control in porous carbon-supported catalyst layers for high-power and low Pt-loaded proton exchange membrane fuel cells Nature Materials 19, 77-85 https://doi.org/10.1038/s41563-019-0487-0
  • Holtz, A., Weidener, D., Leitner, W., Klose, H., Grande, P.M., Jupke, A. (2020). Process development for separation of lignin from OrganoCat lignocellulose fractionation using antisolvent precipitation Separation and Purification Technology 236, 116295. https://doi.org/10.1016/j.seppur.2019.116295
  • Kaithal, A., van Bonn, P., Hölscher, M., Leitner, W. (2020). Manganese(I)‐Catalyzed β‐Methylation of Alcohols using Methanol as C1 Source Angewandte Chemie International Edition 59(1), 215-220. https://doi.org/10.1002/anie.201909035
  • Li, J., Chen, J., Sang, R., Ham, W.-S., Plutschack, M.B., Berger, F., Chabbra, S., Schnegg, A., Genicot, C., Ritter, T. (2020). Photoredox catalysis with aryl sulfonium salts enables site-selective late-stage fluorination Nature Chemistry 12, 56-62. https://doi.org/10.1038/s41557-019-0353-3
  • Köck, E.-M., Bernard, J., Podewitz, M., Dinu, D.F., Huber, R.G., Liedl, K.R., Grothe, H., Bertel, E., Schlögl, R., Loerting, T. (2020). Alpha carbonic acid revisited: Carbonic acid monomethyl ester as a solid and its conformational isomerism in the gas phase Chemistry – A European Journal 26(1), 285-305. https://doi.org/10.1002/chem.201904142
  • Ding, Y., Gu, Q., Klyushin, A., Huang, X., Choudhury, S.H., Spanos, I., Song, F., Mom, R., Düngen, P., Mechler, A.K., Schlögl, R., Heumann, S. (2020). Dynamic carbon surface chemistry: revealing the role of carbon in electrolytic water oxidation Journal of Energy Chemistry 47, 155-159. https://doi.org/10.1016/j.jechem.2019.12.006
  • Nethravathi, C., Rajamathi, C.R., Caron, L., Kalache, A., Machado, J., Rajamathi, M., Felser, C. (2020). Co3O4—γ-Fe2O3 Nanocrystal Heterostructures with Enhanced Coercivity and Blocking Temperature The Journal of Physical Chemistry C 124(2), 1623-1630. https://doi.org/10.1021/acs.jpcc.9b10858
  • Chilkuri, V.G., DeBeer, S., Neese, F. (2020). Ligand Field Theory and Angular Overlap Model Based Analysis of the Electronic Structure of Homovalent Iron–Sulfur Dimers Inorganic Chemistry 59(2), 984-995. https://doi.org/10.1021/acs.inorgchem.9b00974 Front Cover
  • Ruiz Esquius, J., Morgan, D.J., Spanos, I., Hewes, D.G., Freakley, S.J., Hutchings, G.J. (2020). The effect of Base on the Facile Hydrothermal Preparation of Highly Active IrOx Oxygen Evolution Catalysts ACS Applied Energy Materials 3(1), 800-809. https://doi.org/10.1021/acsaem.9b01642
  • Kaithal, A., Schmitz, M., Hölscher, M., Leitner, W. (2020). On the mechanism of the Ruthenium‐catalyzed β‐methylation of alcohols with methanol ChemCatChem 12(3), 781-787. https://doi.org/10.1002/cctc.201901871
  • Vogelsang, D., Vondran J., Hares, K., Schäfer, K., Seidensticker, T., Vorholt, A.J. (2020). Palladium catalysed acid‐free Carboxytelomerisation of 1,3‐Butadiene with Alcohols accessing Pelargonic Acid Derivatives including Triglycerides under selectivity control Advanced Synthesis & Catalysis 362(3), 679-687. https://doi.org/10.1002/adsc.201901383
  • Rams, M., Jochim, A., Böhme, M., Lohmiller, T., Ceglarska, M., Rams, M.M., Schnegg, A., Plass, W., Näther, C. (2020). Single‐Chain Magnet Based on Cobalt(II) Thiocyanate as XXZ Spin Chain Chemistry – A European Journal 26(13), 2837-2851. https://doi.org/10.1002/chem.201903924 Front Cover
  • Chongdar, N., Pawlak, K., Rüdiger, O., Reijerse, E.J., Rodríguez-Maciá, P., Lubitz, W., Birrell, J.A., Ogata, H. (2020). Spectroscopic and biochemical insight into an electron-bifurcating [FeFe] hydrogenase Journal of Biological Inorganic Chemistry 25, 135-148. https://doi.org/10.1007/s00775-019-01747-1
  • Liu, Y., Resch, S.G., Klawitter, I., Cutsail III, G.E., Demeshko, S., Dechert, S., Kühn, F.E., DeBeer, S., Meyer, F. (2020).  An Adaptable N‐Heterocyclic Carbene Macrocycle Hosting Copper in three Oxidation States Angewandte Chemie International Edition 59(14), 5696-5705. https://doi.org/10.1002/anie.201912745

Book chapters

Others

  • Heuser, B., Vorholt, A., Prieto, G., Graziano, B., Schönfeld, S., Messagie, M., Cardellini, G., Tuomi, S., Sittinger, N., Hermanns, R., Ramawamy, S., Kant Kosuru, C., Hoffmann, H., Schulz, L., Yadav, J., Weide, M., Schnorbus, T. (2020). REDIFUEL: Robust and Efficient processes and technologies for Drop-In renewable FUELs for road transport Proceedings of 8th Transport Research Arena TRA 2020, April 27-30, 2020, Helsinki, Finland https://hal.archives-ouvertes.fr/hal-02506871