{"id":10,"date":"2024-11-15T15:54:18","date_gmt":"2024-11-15T15:54:18","guid":{"rendered":"https:\/\/pandora.anorg.chemie.uni-frankfurt.de\/?page_id=10"},"modified":"2026-01-15T09:52:15","modified_gmt":"2026-01-15T08:52:15","slug":"publications","status":"publish","type":"page","link":"https:\/\/holthausen.anorg.chemie.uni-frankfurt.de\/index.php\/publications\/","title":{"rendered":"Publications"},"content":{"rendered":"\n<h3 class=\"wp-block-heading\"><strong>Books&nbsp;and&nbsp;Book&nbsp;Chapters<\/strong><\/h3>\n\n\n\n<ul class=\"wp-block-list\">\n<li><strong>S\u2013H Bond Activation in Hydrogen Sulfide by NHC-Stabilized Silyliumylidene Ions<\/strong><br>A. Porzelt, J. I. Schweizer, R. Baierl, P. J. Altmann, M. C. Holthausen, S. Inoue in&nbsp;<a href=\"https:\/\/www.mdpi.com\/books\/pdfview\/book\/1156\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Coordination Chemistry of Silicon<\/em><\/a>, S. Inoue (Ed.), MDPI, Basel (2019)<br>&nbsp;<\/li>\n\n\n\n<li><strong>Transition Metals: Theory (Energies and Potential Energy Surfaces)<\/strong><br>M. C. Holthausen in&nbsp;The Encyclopedia of Mass Spectrometry, Volume 1: Theory and Ion Chemistry, P. B. Armentrout (Ed.), Elsevier Science, Amsterdam (2003)<br>&nbsp;<\/li>\n\n\n\n<li><strong>A Chemist&#8217;s Guide to Density Functional Theory<\/strong><br>W. Koch and M. C. Holthausen, Wiley-VCH, Weinheim (2000, 2<sup>nd<\/sup>&nbsp;Edition 2001).<br>Selected Book Reviews: (1)&nbsp;<a href=\"https:\/\/doi.org\/10.1002\/1521-3773(20010302)40:5%3C963::AID-ANIE963%3E3.0.CO;2-K\" data-type=\"link\" data-id=\"https:\/\/doi.org\/10.1002\/1521-3773(20010302)40:5%3C963::AID-ANIE963%3E3.0.CO;2-K\" target=\"_blank\" rel=\"noreferrer noopener\">Angew. Chem. Int. Ed.<\/a>;&nbsp;(2)&nbsp;<a href=\"https:\/\/doi.org\/10.1021\/ja004799q\" data-type=\"link\" data-id=\"https:\/\/doi.org\/10.1021\/ja004799q\" target=\"_blank\" rel=\"noreferrer noopener\">J. Am. Chem. Soc.<\/a>;&nbsp;(3)&nbsp;<a href=\"https:\/\/doi.org\/10.1002\/1099-0739(200011)14:11%3C745::AID-AOC57%3E3.0.CO;2-H\" data-type=\"link\" data-id=\"https:\/\/doi.org\/10.1002\/1099-0739(200011)14:11%3C745::AID-AOC57%3E3.0.CO;2-H\" target=\"_blank\" rel=\"noreferrer noopener\">Appl. Organomet. Chem.<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Ethylene Polymerization by Zirconocene Catalysis<\/strong><br>P. K. Das, D. W. Dockter, D. R. Fahey, D. E. Lauffer, G. D. Hawkins, J. Li, T. Zhu, C. J. Cramer, D. G. Truhlar, S. Dapprich, R. D. J. Froese, M. C. Holthausen, Z. Liu, K. Mogi, S. Vyboishchikov, D. G. Musaev, K. Morokuma,&nbsp;<em>Transition State Modeling for Catalysis<\/em>, Chap. 17, D. G. Truhlar and K. Morokuma (Eds.),&nbsp;<a href=\"http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/bk-1999-0721.ch017\" target=\"_blank\" rel=\"noreferrer noopener\">Am. Chem. Soc., Washington (1998)<\/a><br>&nbsp;<\/li>\n<\/ul>\n\n\n\n<h3 class=\"wp-block-heading\"><strong>Journals<\/strong><\/h3>\n\n\n\n<ul class=\"wp-block-list\">\n<li><strong>Evaluating Spin\u2013Orbit Effects on the Thermochemistry of Proton-Coupled Electron Transfer<\/strong><br>D. Delony, A. Fitterer, M. Diefenbach, F. W\u00e4tjen, S. Maji, S. Demeshko, M. Otte, M. Orlita, V. Krewald, M. C. Holthausen, S. Schneider<br><a href=\"https:\/\/doi.org\/10.1021\/acs.inorgchem.5c05144\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Inorg. Chem.<\/em>&nbsp;65, 791\u2013801 (<strong>2026<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Photocatalytic Hydrogenation of an N<sub>2<\/sub>-Derived Re<sup>V<\/sup> Imido Complex<\/strong><br>K. Oelschlegel, M. Heinz, S. Maji, R. Naumann, Y. F. S. H\u00f6hle, N. Alizadeh, M. Finger, M. Otte, K. Heinze, M. C. Holthausen, S. Schneider<br><a href=\"https:\/\/doi.org\/10.1021\/jacsau.5c00525\" target=\"_blank\" rel=\"noreferrer noopener\"><em>JACS Au<\/em>&nbsp;5, 4706\u20134713 (<strong>2025<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>The Path to an Open-Shell Metallo-Germylene: Direct Ligation, or Reduction and Metathesis?<\/strong><br>A. Schulz,&nbsp;M. Heinz,&nbsp;M. C. Holthausen,&nbsp;T. J. Hadlington<br><a href=\"https:\/\/doi.org\/10.1039\/D5SC04265H\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Sci.<\/em>&nbsp;16, 20265\u201320274 (<strong>2025<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong><em>In Crystallo<\/em> Wolff Rearrangement of a Metalated Diazoester: Structural Confirmation of the Singlet Carbene Wolff-Intermediate<\/strong><br>Z.-J. Lv,&nbsp;A. Fitterer,&nbsp;R. Herbst-Irmer,&nbsp;S. Demeshko,&nbsp;H. Verplancke,&nbsp;M. C. Holthausen,&nbsp;S. Schneider<br><a href=\"https:\/\/doi.org\/10.1021\/jacs.4c18289\" target=\"_blank\" rel=\"noreferrer noopener\"><em>J. Am. Chem. Soc.<\/em>&nbsp;147, 5590\u20135595 (<strong>2025<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Transient Triplet Metallopnictinidenes M\u2013Pn (M = Pd<sup>II<\/sup>, Pt<sup>II<\/sup>; Pn = P, As, Sb): Characterization and Dimerization<\/strong><br>M. C. Neben,&nbsp;N. Wegerich,&nbsp;T. A. Al Said,&nbsp;R. R. Thompson,&nbsp;S. Demeshko,&nbsp;K. Dollberg,&nbsp;I. Tkach,&nbsp;G. P. Van Trieste III,&nbsp;H. Verplancke,&nbsp;C. von H\u00e4nisch,&nbsp;M. C. Holthausen,&nbsp;D. C. Powers,&nbsp;A. Schnegg,&nbsp;S. Schneider<br><a href=\"https:\/\/doi.org\/10.1021\/jacs.4c16830\" target=\"_blank\" rel=\"noreferrer noopener\"><em>J. Am. Chem. Soc.<\/em> 147, 5330\u20135339&nbsp;(<strong>2025<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>From a P-Bridging Phosphaketene to \u03bc-Phosphinidenide and \u03bc-Diphosphaurea Units at a Dinickel Core<\/strong><br>R. A. Schulz, U. S. Karaca,&nbsp;M. S. Diefenbach,&nbsp;N. J. A. Werthmann,&nbsp;S. Dechert,&nbsp;M. M. Hansmann,&nbsp;M. C. Holthausen,&nbsp;F. Meyer<br><a href=\"https:\/\/doi.org\/10.1002\/chem.202404095\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Eur. J.<\/em>&nbsp;31, e202404095 (<strong>2025<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Structural Snapshots, Trajectory and Thermodynamics of the Reversible \u00b5-1,2-Peroxo\/\u00b5-1,1-Hydroperoxo Dicopper(II) Interconversion<\/strong><br>C.-J. Spyra, D. Hiller, K. A. Eisenlohr, S. Dechert, S. Demeshko, D. Bhattacharya, J. L\u00fccken, M. C. Holthausen, F. Meyer<br><a href=\"https:\/\/doi.org\/10.1002\/anie.202416022\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem. Int. Ed.<\/em>&nbsp;64, e202416022 (<strong>2025<\/strong>)<\/a>;&nbsp;<mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\">highlighted as &#8220;Very Important Paper&#8221;<\/mark><br>&nbsp;<\/li>\n\n\n\n<li><strong>Expanding the Clip-and-Cleave Concept: Approaching Enantioselective C\u2013H Hydroxylations by Copper Imine Complexes Using O<sub>2<\/sub>&nbsp;and H<sub>2<\/sub>O<sub>2<\/sub>&nbsp;as Oxidants<\/strong><br>A. Petrillo, K. F. Kirchge\u00dfner-Prado, D. Hiller, K. A. Eisenlohr, G. Rubin, C. W\u00fcrtele, R. Goldberg, D. Schatz, M. C. Holthausen, I. Garcia-Bosch, S. Schindler<br><a href=\"https:\/\/doi.org\/10.1021\/jacs.4c07777\" target=\"_blank\" rel=\"noreferrer noopener\"><em>J. Am. Chem. Soc.<\/em>&nbsp;146, 25689\u201325700 (<strong>2024<\/strong>)<\/a>;&nbsp;<mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\">highlighted in&nbsp;<\/mark><a href=\"https:\/\/doi.org\/10.1002\/nadc.20254146850\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Nachr. Chem.<\/em>&nbsp;73, 56\u201364&nbsp;(<strong>2025<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>A Strongly Ambiphilic Ferrocene-Based Cyclic (Alkyl)(amino)carbene \u2013 Specific Decomposition to an Enamine by a 1,2-Phenyl Shift<\/strong><br>J. Volk, M. Heinz, R. Guthardt, S. Yadav, C. Bruhn, M. C. Holthausen, U. Siemeling<br><a href=\"https:\/\/doi.org\/10.1002\/chem.202403028\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Eur. J.<\/em>&nbsp;30, e202403028 (<strong>2024<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>C\u2550C Dissociative Imination of Styrenes by a Photogenerated Metallonitrene<\/strong><br>T. Schmidt-R\u00e4ntsch, H. Verplancke, A. Kehl, J. Sun, M. Bennati, M. C. Holthausen, S. Schneider<br><a href=\"https:\/\/doi.org\/10.1021\/jacsau.4c00571\" target=\"_blank\" rel=\"noreferrer noopener\"><em>JACS Au<\/em>&nbsp;4, 3421\u20133426 (<strong>2024<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Triplet carbenes with transition-metal substituents<\/strong><br>Z.-J. Lv, K. A. Eisenlohr, R. Naumann, T. Reuter, H. Verplancke, S. Demeshko, R. Herbst-Irmer, K. Heinze, M. C. Holthausen, S. Schneider<br><a href=\"https:\/\/doi.org\/10.1038\/s41557-024-01597-8\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Nat. Chem.<\/em>&nbsp;16, 1788\u20131793 (<strong>2024<\/strong>)<\/a>;&nbsp;<mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\">highlighted in<\/mark>&nbsp;<a href=\"https:\/\/doi.org\/10.1038\/s41557-024-01654-2\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Nat. Chem.<\/em>&nbsp;16, 1741\u20131742&nbsp;(<strong>2024<\/strong>)<\/a>,<br><a href=\"https:\/\/doi.org\/10.1002\/nadc.20254146259\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Nachr. Chem.<\/em>&nbsp;73, 52\u201355&nbsp;(<strong>2025<\/strong>)<\/a>,&nbsp;<a href=\"https:\/\/doi.org\/10.1055\/a-2518-3753\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Synfacts<\/em>&nbsp;21, 246&nbsp;(<strong>2025<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Trapping of a Terminal Intermediate in the Boron-Mediated Dinitrogen Reduction: Mono-, Tri-, and Tetrafunctionalized Hydrazines in Two Steps from N<sub>2<\/sub><\/strong><br>M. Rang, M. Heinz, A. Halki\u0107, M. Weber, R. D. Dewhurst, A. Rempel, M. H\u00e4rterich, M. C. Holthausen, H. Braunschweig<br><a href=\"https:\/\/doi.org\/10.1021\/jacs.4c01818\" target=\"_blank\" rel=\"noreferrer noopener\"><em>J. Am. Chem. Soc.<\/em>&nbsp;146, 11048\u201311053 (<strong>2024<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>C\u2013H Bond Activation by Iridium(III) and Iridium(IV) Oxo Complexes<\/strong><br>M. A. Tepaske, A. Fitterer, H. Verplancke, D. Delony, M. C. Neben, B. de Bruin, M. C. Holthausen, S. Schneider<br><a href=\"https:\/\/doi.org\/10.1002\/anie.202316729\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem. Int. Ed.<\/em>&nbsp;63, e2002316729 (<strong>2024<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Experimental and Computational Study of a Confirmed Borylene-to-Diborene Dimerization<\/strong><br>M. Heinz, M. Arrowsmith, J. I. Schweizer, I. Krummenacher, M. C. Holthausen, H. Braunschweig<br><a href=\"https:\/\/doi.org\/10.1021\/jacs.3c07979\" target=\"_blank\" rel=\"noreferrer noopener\"><em>J. Am. Chem. Soc.<\/em>&nbsp;145, 22685\u201322696 (<strong>2023<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>A Journey from Benzoborirene to Benzoborole-Supported 1,2-Diimine and Antiaromatic Borolediide<\/strong><br>X. Liu, M. Heinz, J. Wang, L. Tan, M. C. Holthausen, Q. Ye<br><a href=\"https:\/\/doi.org\/10.1002\/anie.202312608\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem. Int Ed.<\/em>&nbsp;62, e202312608 (<strong>2023<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Ferrocene-Based N-Heterocyclic Plumbylenes [Fe{(\u03b7<sup>5<\/sup>-C<sub>5<\/sub>H<sub>4<\/sub>)NSiMe<sub>2<\/sub>R}<sub>2<\/sub>Pb:]: Influence of the Steric Demand of the N-Substituents on Their Dimerization via C\u2212H Activation with Pb<sup>II<\/sup><\/strong><br>R. Guthardt, H. L. Jacob, D. Herle, M. Leibold, C. Bruhn, M. Heinz, M. C. Holthausen, U. Siemeling<br><a href=\"https:\/\/doi.org\/10.1002\/asia.202300266\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Asian J.<\/em>&nbsp;18, e202300266 (<strong>2023<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Another Torture Track for Quantum Chemistry: Reinvestigation of the Benzaldehyde Amidation by Nitrogen-Atom Transfer from Platinum(II) and Palladium(II) Metallonitrenes<\/strong><br>H. Verplancke, M. Diefenbach, J. N. Lienert, M. Ugandi, M.-P- Kitsaras, M. Roemelt, S. Stopkowicz, M. C. Holthausen<br><a href=\"https:\/\/doi.org\/10.1002\/ijch.202300060\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Isr. J. Chem.<\/em>&nbsp;63, e202300060 (<strong>2023<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Achieving Control over the Reduction\/Coupling Dichotomy of N2 by Boron Metallomimetics<\/strong><br>A. G\u00e4rtner, U. S. Karaca, M. Rang, M. Heinz, P. D. Engel, I. Krummenacher, M. Arrowsmith, A. Hermann, A. Matler, A. Rempel, R. Witte, H. Braunschweig, M. C. Holthausen, M.-A.L\u00e9gar\u00e9<br><a href=\"https:\/\/doi.org\/10.1021\/jacs.3c01762\" target=\"_blank\" rel=\"noreferrer noopener\"><em>J. Am. Chem. Soc.<\/em>&nbsp;145, 8231\u20138241 (<strong>2023<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Siemens Reloaded: Chloride-Assisted Selective Hydrodechlorination of SiCl<sub>4<\/sub>&nbsp;to HSiCl<sub>3<\/sub><\/strong><br>A. G. Sturm, U. S. Karaca, M. Heinz, T. Felder, K. M. Lewis, N. Auner, M. C. Holthausen<br><a href=\"https:\/\/doi.org\/10.1002\/cssc.202201953\" target=\"_blank\" rel=\"noreferrer noopener\"><em>ChemSusChem<\/em>&nbsp;16, e202201953 (<strong>2022<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Stabilizing Doubly Deprotonated Diazomethane: Isolable Complexes with CN<sub>2<\/sub><sup>2\u2013<\/sup>&nbsp;and CN<sub>2<\/sub><sup>\u2013<\/sup>&nbsp;Radical Ligands<\/strong><br>Z.-J. Lv, P. D. Engel, L. Alig, S. Maji, M. C. Holthausen, S. Schneider<br><a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/jacs.2c10743\" target=\"_blank\" rel=\"noreferrer noopener\"><em>J. Am. Chem. Soc.<\/em>&nbsp;144, 21872\u201321877 (<strong>2022<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>A crystalline cyclic (alkyl)(amino)carbene with a 1,1\u2032-ferrocenylene backbone<\/strong><br>J. Volk, M. Heinz, M. Leibold, C. Bruhn, T. Bens, B. Sarkar, M. C. Holthausen, U. Siemeling<br><a href=\"https:\/\/doi.org\/10.1039\/D2CC03871D\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Commun.<\/em>&nbsp;58, 10396\u201310399 (<strong>2022<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>M\u00fcller\u2212Rochow Reloaded: Single-Step Synthesis of Bifunctional Monosilanes<\/strong><br>A. G. Sturm, T. Santowski, T. Felder, K. M. Lewis, M. C. Holthausen, N. Auner<br><a href=\"https:\/\/doi.org\/10.1021\/acs.organomet.2c00141\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Organometallics<\/em>&nbsp;41, 1960\u20131967 (<strong>2022<\/strong>)<\/a>;&nbsp;<mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\">highlighted as &#8220;Editors Choice&#8221;<\/mark><br>&nbsp;<\/li>\n\n\n\n<li><strong>Nitrogen Atom Transfer Catalysis by Metallonitrene C\u2013H Insertion: Photocatalytic Amidation of Aldehydes<\/strong><br>T. Schmidt-R\u00e4ntsch, H. Verplancke, J. N. Lienert, S. Demeschko, M. Otte, G. P. Van Trieste III, K. A. Reid, J. H. Reibenspies, D. C. Powers, M. C. Holthausen, S. Schneider<br><a href=\"https:\/\/doi.org\/10.1002\/anie.202115626\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem. Int. Ed.<\/em>&nbsp;61, e202115626 (<strong>2022<\/strong>)<\/a>;&nbsp;<mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\">highlighted as &#8220;Very Important Paper&#8221;<\/mark><br>&nbsp;<\/li>\n\n\n\n<li><strong>Rhenium-Mediated Conversion of Dinitrogen and Nitric Oxide to Nitrous Oxide<\/strong><br>L. Alig, K. A. Eisenlohr, Y. Zelenkova, S. Rosendahl, R. Herbst-Irmer, S. Demeshko,&nbsp;M. C.&nbsp;Holthausen,&nbsp;S.&nbsp;Schneider<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/anie.202113340\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem. Int. Ed.<\/em>&nbsp;61, e202113340 (<strong>2022<\/strong>)<\/a>; <mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\">highlighted as &#8220;Hot Paper&#8221;<\/mark>,<mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\"><br>highlighted in<\/mark>&nbsp;<a href=\"https:\/\/doi.org\/10.1002\/nadc.20234133156\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Nachr. Chem. 71<\/em>, 57\u201366&nbsp;(<strong>2023<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Probing the Boundaries between Lewis-Basic and Redox Behavior of a Parent Borylene<\/strong><br>M. Arrowsmith, S. Endres, M. Heinz, V. Nestler, M. C. Holthausen, H. Braunschweig<br><a href=\"https:\/\/doi.org\/10.1002\/chem.202103256\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Eur. J.&nbsp;<\/em>27, 17660\u201317668 (<strong>2021<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Reactivity of an N-heterocyclic silylene with a 1,1\u2019-ferrocenediyl backbone towards carbonyl compounds, including carbon suboxide<\/strong><br>N. Weyer, M. Heinz, C. Bruhn, M. C. Holthausen, U. Siemeling<br><a href=\"https:\/\/doi.org\/10.1039\/D1CC03947D\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Commun<\/em>. 57, 9378\u20139381 (<strong>2021<\/strong>)<\/a>;&nbsp;<mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\">highlighted as &#8220;HOT Article&#8221;<\/mark><br>&nbsp;<\/li>\n\n\n\n<li><strong>Stabilizing P\u2261P: P<sub>2<\/sub><sup>2\u2013<\/sup>,P<sub>2<\/sub><sup>\u2013<\/sup>, and P<sub>2<\/sub><sup>0<\/sup>&nbsp;as bridging ligands<\/strong><br>J. Sun, H. Verplancke, J. I. Schweizer, M. Diefenbach, C. W\u00fcrtele, M. Otte, I. Tkach, C. Herwig, C. Limberg, S. Demeshko, M. C. Holthausen, S. Schneider<br><a href=\"https:\/\/www.sciencedirect.com\/science\/article\/abs\/pii\/S2451929421003107\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem<\/em>&nbsp;7, 1952\u20131962 (<strong>2021<\/strong>)<\/a><br>&nbsp;<a href=\"https:\/\/aktuelles.uni-frankfurt.de\/forschung\/wie-diphosphor-fuer-chemische-reaktionen-nutzbar-wird\/\" target=\"_blank\" rel=\"noreferrer noopener\">press release<\/a>;&nbsp;<mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\">highlighted in<\/mark>&nbsp;<a href=\"https:\/\/www.sciencedirect.com\/science\/article\/abs\/pii\/S2451929421003259\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem<\/em>&nbsp;7, 1698\u20131700 (<strong>2021<\/strong>)<\/a>,&nbsp;<a href=\"https:\/\/doi.org\/10.1002\/nadc.20224121461\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Nachr. Chem.<\/em>&nbsp;70, 56 (<strong>2022<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Selective Route to Stable Silicon\u2013Boron Radicals and Their Corresponding Cations<\/strong><br>M. Nazish, C. M. Legendre, S. K. Sarkar, J. L\u00fccken, D. J. Goffitzer, M. Diefenbach, B. Schwederski, R. Herbst-Irmer, D. Stalke, M. C. Holthausen, W. Kaim, H. W. Roesky<br><a href=\"https:\/\/doi.org\/10.1021\/acs.inorgchem.1c01438\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Inorg. Chem.<\/em>&nbsp;60, 10100\u201310104 (<strong>2021<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>1-Aza-2,4-disilabicyclo[1.1.0]butanes with Superelongated C\u2013N \u03c3-Bonds<\/strong><br>J. Li, D. J. Goffitzer, M. Xiang, Y. Chen, W. Jiang, M. Diefenbach, H. Zhu, M. C. Holthausen, H. W. Roesky<br><a href=\"https:\/\/doi.org\/10.1021\/jacs.1c03149\" target=\"_blank\" rel=\"noreferrer noopener\"><em>J. Am. Chem. Soc.&nbsp;<\/em>143, 8244\u20138248 (<strong>2021<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Imino(silyl)disilenes: application in versatile bond activation, reversible oxidation and thermal isomerization<\/strong><br>R. Holzner, A. Porzelt, U. S. Karaca, F. Kiefer, P. Frisch, D. Wendel, M. C. Holthausen, S. Inoue<br><a href=\"https:\/\/pubs.rsc.org\/en\/content\/articlelanding\/2021\/DT\/D1DT01629F#!divAbstract\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Dalton Trans.<\/em>&nbsp;50, 8785\u20139793 (<strong>2021<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>A Stable N-Heterocyclic Silylene with a 1,1&#8242;-Ferrocenediyl Backbone<\/strong><br>N. Weyer, M. Heinz, J. I. Schweizer, C. Bruhn, M. C. Holthausen, U. Siemeling<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/full\/10.1002\/anie.202011691\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem. Int. Ed.<\/em>&nbsp;60, 2624 (<strong>2021<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Coligand Role in the NHC Nickel Catalyzed C\u2013F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C\u2013F Bond of Hexafluorobenzene<\/strong><br>M. W. Kuntze-Fechner, H. Verplancke, L. Tendera, M. Diefenbach, I. Krummenacher, H. Braunschweig, T. B. Marder, M. C. Holthausen, U. Radius<br><em><a href=\"https:\/\/doi.org\/10.1039\/D0SC04237D\" target=\"_blank\" rel=\"noreferrer noopener\">Chem. Sci.&nbsp;<\/a><\/em><a href=\"https:\/\/doi.org\/10.1039\/D0SC04237D\" target=\"_blank\" rel=\"noreferrer noopener\">11, 11009 (<strong>2020<\/strong>)<\/a>;&nbsp;<mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\">highlighted as &#8220;HOT Article&#8221;<\/mark><br>&nbsp;<\/li>\n\n\n\n<li><strong>A platinum(II) metallonitrene with a triplet ground state<\/strong><br>J. Sun, J. Abbenseth, H. Verplancke, M. Diefenbach, B. de Bruin, D. Hunger, C. W\u00fcrtele, J. van Slageren, M. C. Holthausen, S. Schneider<br><a href=\"https:\/\/doi.org\/10.1038\/s41557-020-0522-4\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Nat. Chem.<\/em>&nbsp;12, 1054\u20131059 (<strong>2020<\/strong>)<\/a><em><br><\/em><a href=\"https:\/\/www.muk.uni-frankfurt.de\/94194188\/Chemie__Wie_Stickstoff_per_Katalysator_%C3%BCbertragen_wird\" target=\"_blank\" rel=\"noreferrer noopener\">press release<\/a>&nbsp;<a href=\"https:\/\/www.goethe-university-frankfurt.de\/94194876\/Chemistry__How_nitrogen_is_transferred_by_a_catalyst?locale=en\" target=\"_blank\" rel=\"noreferrer noopener\">(english version)<\/a>;&nbsp;<mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\">highlighted in<\/mark>&nbsp;<em><a href=\"http:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/nadc.20174059829\/full\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Nachr. Chem.<\/em>&nbsp;<\/a><\/em><a href=\"http:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/nadc.20174059829\/full\" target=\"_blank\" rel=\"noreferrer noopener\">69, 67 (<strong>2021<\/strong>)<\/a>,&nbsp;<em><a href=\"https:\/\/doi.org\/10.1016\/j.trechm.2020.11.005\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Trends Chem.<\/em>&nbsp;<\/a><\/em><a href=\"https:\/\/doi.org\/10.1016\/j.trechm.2020.11.005\" target=\"_blank\" rel=\"noreferrer noopener\">3, 251 (<strong>2021<\/strong>)<\/a><em><br>&nbsp;<\/em><\/li>\n\n\n\n<li><strong>Examination of Protonation-Induced Dinitrogen Splitting by in situ EXAFS Spectroscopy<\/strong><br>J.&nbsp;Abbenseth,&nbsp;J.-P. Oudsen,&nbsp;B. Venderbosch, S. Demeshko, M. Finger, C. Herwig, C. W\u00fcrtele, C. Limberg, M. C. Holthausen, C. Limberg, M. Tromp, S. Schneider<br><a href=\"http:\/\/pubs.acs.org\/doi\/10.1021\/acs.inorgchem.0c02134\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Inorg. Chem.<\/em>&nbsp;59, 14367 (<strong>2020<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Disilane Cleavage with Selected Alkali and Alkaline Earth Metal Salts<\/strong><br>T. Santowski, A. G. Sturm, K. M. Lewis, T. Felder, M. C. Holthausen, N. Auner<br><a href=\"https:\/\/doi.org\/10.1002\/chem.201902722\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Eur. J.<\/em>&nbsp;25, 13202 (<strong>2019<\/strong>)<\/a>;&nbsp;<mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\">highlighted as &#8220;Hot&nbsp;Paper<\/mark><br>&nbsp;<\/li>\n\n\n\n<li><strong>Oxidative Coupling of&nbsp;Terminal Rhenium Pnictide Complexes<\/strong><br>J. Abbenseth,&nbsp;M. Diefenbach, A. Hinz, L. Alig, C. W\u00fcrtele, J. M. Goicoechea,&nbsp;M. C. Holthausen, S. Schneider<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/abs\/10.1002\/anie.201905130\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem. Int. Ed.<\/em>&nbsp;58, 10966 (<strong>2019<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>A Terminal Iridium Oxo Complex with a Triplet Ground State<\/strong><br>D. Delony, M. Kinauer, M. Diefenbach, S. Demeshko, C. W\u00fcrtele,&nbsp;M. C. Holthausen, S. Schneider<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/abs\/10.1002\/anie.201905325\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem. Int. Ed.<\/em>&nbsp;58, 10971 (<strong>2019<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Making Use of the Direct Process Residue: Synthesis of Bifunctional Monosilanes<\/strong><br>A. G. Sturm, T. Santowski, J. I. Schweizer, L. Meyer, K. M. Lewis, T. Felder, N. Auner,&nbsp;M. C. Holthausen<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/chem.201901881\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Eur. J.<\/em>&nbsp;25, 8499 (<strong>2019<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Synthesis and reduction chemistry of mixed-Lewis-Base-Stabilized Chloroborylenes<\/strong><br>M. Arrowsmith, J. I. Schweizer, M. Heinz, M. H\u00e4rterich, I. Krummenacher,&nbsp;M. C. Holthausen, H. Braunschweig<br><a href=\"https:\/\/pubs.rsc.org\/en\/Content\/ArticleLanding\/2019\/SC\/C9SC01039D#!divAbstract\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Sci.<\/em>&nbsp;10, 5095 (<strong>2019<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>The reductive coupling of dinitrogen<\/strong><br>M.-A. L\u00e9gar\u00e9, M. Rang, G. B\u00e9langer-Chabot, J. I. Schweizer, I. Krummenacher, R. Bertermann, M. Arrowsmith, M. C. Holthausen, H. 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J.<\/em>&nbsp;24, 15543 (<strong>2018<\/strong>)<\/a>;&nbsp;<mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\">highlighted as &#8220;Hot Paper&#8221;<\/mark>; <a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/epdf\/10.1002\/chem.201804294\">cover profile<\/a>,&nbsp;<a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/abs\/10.1002\/chem.201804293\">cover picture<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Reactions of Si<sub>2<\/sub>Br<sub>6<\/sub>&nbsp;with N-heterocyclic carbenes<\/strong><br>J. I. Schweizer, A. G. Sturm, T. Porsch, M. Berger, M. Bolte, N. Auner, M. C. Holthausen<br><a href=\"http:\/\/dx.doi.org\/10.1002\/zaac.201800163\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Z. Allg.&nbsp;<\/em><em>Anorg. Chem.<\/em>&nbsp;644, 982 (<strong>2018<\/strong>)<\/a>; <a href=\"https:\/\/onlinelibrary.wiley.com\/toc\/15213749\/2018\/644\/17\" target=\"_blank\" rel=\"noreferrer noopener\">A. C. 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Sci.<\/em>&nbsp;9, 4325 (<strong>2018<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Thermal synthesis of perchlorinated oligosilanes: A fresh look at an old reaction<\/strong><br>F. Neumeier, J. I. Schweizer, L. Meyer, A. G. Sturm, A. Nadj, N. Auner, M. C. Holthausen<br><a href=\"http:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/chem.201702224\/epdf\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Eur. J.<\/em>&nbsp;23,12399&nbsp;(<strong>2017<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>New (N,Se) and (Se,N,Se) ligands based on carborane and pyridine fragments. Reactivity of 2,6-[(1\u2019-Me-1\u2019,2\u2019-closo-C<sub>2<\/sub>B<sub>10<\/sub>H<sub>10<\/sub>)SeCH<sub>2<\/sub>]<sub>2<\/sub>C<sub>5<\/sub>H<sub>3<\/sub>N towards copper and silver<\/strong><br>A.&nbsp;Ilie, O.&nbsp;Crespo, M.&nbsp;C.&nbsp;Gimeno, M.&nbsp;C.&nbsp;Holthausen, A.&nbsp;Laguna, M.&nbsp;Diefenbach, C.&nbsp;Silvestru<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/full\/10.1002\/ejic.201700075\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Eur. J. Inorg. Chem.&nbsp;<\/em>20, 2643 (<strong>2017<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>A square-planar osmium(II) complex<\/strong><br>J. Abbenseth, M. Diefenbach, S. C. Bete, C. W\u00fcrtele, C. Volkmann, S. Demeshko, M. C. Holthausen, S. Schneider<br><a href=\"http:\/\/pubs.rsc.org\/en\/Content\/ArticleLanding\/2017\/CC\/C7CC01569K#!divAbstract\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Commun.<\/em>&nbsp;53, 5511&nbsp;(<strong>2017<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Dinitrogen Splitting Coupled to Protonation<\/strong><br>G. A. Silantyev, M. F\u00f6rster, B. Schluscha\u00df, J. Abbenseth, C. W\u00fcrtele, C. Volkmann, M. C. Holthausen, S. Schneider<br><a href=\"http:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/anie.201701504\/abstract\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem. Int. Ed.<\/em>&nbsp;56, 5872 (<strong>2017<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Acid\/base triggered interconversion of \u03bc-\u03b7<sup>2<\/sup>:\u03b7<sup>2<\/sup>-peroxido and bis(\u03bc-oxido) dicopper intermediates capped by proton-responsive ligands<\/strong><br>V. E. Goswami, A. Walli, M. F\u00f6rster, S. Dechert, S. Demeshko, M. C. Holthausen, F. Meyer<br><a href=\"http:\/\/pubs.rsc.org\/en\/Content\/ArticleLanding\/2017\/SC\/C6SC04820J#!divAbstract\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Sci.<\/em>&nbsp;8, 3031 (<strong>2017<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Copper-Mediated Selective Hydroxylation of a Non-Activated C-H Bond in Steroids: A DFT Study of Sch\u00f6necker&#8217;s Reaction<\/strong><br>P. Gupta, M. Diefenbach, M. C. Holthausen, M. F\u00f6rster<br><a href=\"http:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/chem.201604829\/abstract\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Eur.&nbsp;J.<\/em>&nbsp;23, 1427 (<strong>2017<\/strong>)<\/a>;&nbsp;<mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\">highlighted as &#8220;Hot Paper&#8221;<\/mark><br>&nbsp;<\/li>\n\n\n\n<li><strong>Redox-Active N-Heterocyclic Germylenes and Stannylenes with a Ferrocene-1,1\u2032-diyl Backbone<\/strong><br>J. Oetzel, N. Weyer, C. Bruhn, M. Leibold, B. Gerke, R. P\u00f6ttgen, M. Maier, R. F. Winter, M. C. Holthausen, U. 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J.<\/em>&nbsp;22, 14328 (<strong>2016<\/strong>)<\/a>;&nbsp;<mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\">highlighted as &#8220;Hot Paper&#8221;<\/mark><br>&nbsp;<\/li>\n\n\n\n<li><strong>A Disilene Base Adduct with a Dative Si\u2013Si Single Bond<\/strong><br>J. I. Schweizer, M. G. Scheibel, M. Diefenbach, F. Neumeyer, C. W\u00fcrtele, N. Kulminskaya, R. Linser, N. Auner, S. Schneider,&nbsp;M. C. Holthausen<br><a href=\"http:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/anie.201510477\/abstract\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem. Int. Ed.<\/em>&nbsp;55,1782&nbsp;(<strong>2016)<\/strong><\/a>&nbsp;;&nbsp;<mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\">highlighted in<\/mark>&nbsp;<a href=\"http:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/nadc.20174059829\/full\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Nachr. Chem.<\/em> 65, 245&nbsp;(<strong>2017<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Highly Active Iron Catalyst for Ammonia Borane Dehydrocoupling at Room Temperature<\/strong><br>A. Gl\u00fcer, M. F\u00f6rster, V. Celinski, J. Schmedt auf der G\u00fcnne,&nbsp;M. C. Holthausen, S. Schneider<br><a href=\"http:\/\/pubs.acs.org\/doi\/10.1021\/acscatal.5b02406\" target=\"_blank\" rel=\"noreferrer noopener\"><em>ACS Catal.<\/em>&nbsp;5, 7214&nbsp;(<strong>2015<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Oxygen Reduction with a Bifunctional Iridium Dihydride Complex<\/strong><br>C. Schiwek, J. Meiners, M. F\u00f6rster, C. W\u00fcrtele, M. Diefenbach, M. C. Holthausen, S. Schneider<br><a href=\"http:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/anie.201504369\/full\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem. Int. Ed.<\/em>&nbsp;54, 15271 (<strong>2015<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Insight into the Oriented Growth of Surface-Attached Metal-Organic Frameworks (SURMOFs):Surface Functionality, Deposition Temperature, and First Layer Order<\/strong><br>J.-L. Zjuang, M. Kind, C. M. Grytz, F. Farr, M. Diefenbach, S. Tussupbayev, M. C. Holthausen, A. Terfort<br><a href=\"http:\/\/pubs.acs.org\/doi\/10.1021\/jacs.5b03948\" target=\"_blank\" rel=\"noreferrer noopener\"><em>J. Am. Chem. Soc.<\/em>&nbsp;137, 8237&nbsp;(<strong>2015<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Selective Aromatic Hydroxylation with Dioxygen and Simple Copper Imine Complexes<\/strong><br>J. Becker, P.&nbsp;Gupta, F. Angersbach, F. Tuczek, C. N\u00e4ther, M. C. Holthausen, S. Schindler<br><a href=\"http:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/chem.201501003\/\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Eur. J.<\/em>&nbsp;21, 11735 (<strong>2015<\/strong>)<\/a>;&nbsp;<mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\">highlighted as&nbsp;&#8220;Hot Paper&#8221;<\/mark><br>&nbsp;<\/li>\n\n\n\n<li><strong>Base-Free Methanol Dehydrogenation Using a Pincer-Supported Iron Compound and Lewis Acid Co-catalyst<br>&nbsp;<\/strong>E. A. Bielinski, M. F\u00f6rster, Y. Zhang, W. H. Bernskoetter, N. Hazari,&nbsp;M. C. 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Chem.&nbsp;<\/em>53, 4832 (<strong>2014<\/strong>)<\/a>; <mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\">highlighted as &#8220;Very Important Paper&#8221;<\/mark><br><a href=\"http:\/\/www.nzz.ch\/wissenschaft\/physik\/exotische-verknuepfungen-1.18292156\">Zeitungsartikel (Neue Z\u00fcrcher Zeitung)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Chloride-induced aufbau of perchlorinated cyclohexasilanes from Si<sub>2<\/sub>Cl<sub>6<\/sub>&nbsp;\u2013 A mechanistic scenario<\/strong><br>J. Tillmann, L. Meyer, J. I. Schweizer, M. Bolte, H.-W. Lerner, M. Wagner, M. C. Holthausen<br><a href=\"http:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/chem.201402655\/abstract;jsessionid=F0891C858369E8A5B40AA96E3E793249.f04t04\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Eur. 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J.<\/em>&nbsp;20, 4681&nbsp;(<strong>2014<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Fragmentation reactions of Si<sub>2<\/sub>Cl<sub>6<\/sub><sup>+\u00b7&nbsp;<\/sup>&nbsp;in the gas phase\u2014A quantum-chemical and mass-spectrometric assessment<\/strong><br>E. M. L. Fink, A. Schie\u00dfer, R. Berger, M. C. Holthausen<br><a href=\"http:\/\/www.sciencedirect.com\/science\/article\/pii\/S1387380613002935\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Int. J. Mass Spectrom.<\/em>&nbsp;354\u2013355, 378 (<strong>2013<\/strong>)<\/a>, D. Sch\u00f6der memorial issue<br>&nbsp;<\/li>\n\n\n\n<li><strong>Effects of boron doping on the structural an optoelectronic properties of 9,10-diarylanthracenes<\/strong><br>C. Hoffend, M. Diefenbach, E. Januszewski, M. Bolte, H.-W. Lerner, M. C. Holthausen, M. 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Chem.<\/em>&nbsp;49, 8421&nbsp;(<strong>2010<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>H\/Br exchange in BBr<sub>3<\/sub>&nbsp;by HSiR<sub>3<\/sub>&nbsp;(R = H, CH<sub>3<\/sub>,&nbsp;C<sub>2<\/sub>H<sub>5<\/sub>): Origin of DFT Failures to Describe a Seemingly Innocuous Reaction Barrier<\/strong><br>J. R. Rakow, S. T\u00fcllmann, M. C. Holthausen<br><a href=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/jp906502y\" target=\"_blank\" rel=\"noreferrer noopener\"><em>J. Phys. Chem.<\/em>&nbsp;A 113, 12035 (<strong>2009<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>9,10-Dihydro-9,10-diboraanthracene: Supramolecular Structure and Use as a Building Block for Luminescent Conjugated Polymers<\/strong><br>A. Lorbach, M. Bolte, H.-W. Lerner, M. C. Holthausen, F. J\u00e4ckle, M. Wagner<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/ange.200901226\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem.<\/em>&nbsp;121, 4654 (<strong>2009<\/strong>)<\/a>;&nbsp;<a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/anie.200901226\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem. Int. Ed.<\/em>&nbsp;48, 4584 (<strong>2009<\/strong>)<\/a>;&nbsp;<mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\">highlighted as \u201cHot Paper\u201d<\/mark><br>&nbsp;<\/li>\n\n\n\n<li><strong>Ethylene&nbsp;Addition to&nbsp;Ru(=CH<sub>2<\/sub>)(=O)<sub>3&nbsp;<\/sub><\/strong>&#8211;<strong>&nbsp;A Theoretical Study<\/strong><br>R.&nbsp;Haunschild, S. T\u00fcllmann, G. Frenking, M. C. Holthausen<br><a href=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0022328X08006530\" target=\"_blank\" rel=\"noreferrer noopener\"><em>J. Organomet. Chem.<\/em>&nbsp;7\u20138, 1081 (<strong>2009<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Supersilylated tetraphosphene derivatives M<sub>2<\/sub>[<em>t<\/em>Bu<sub>3<\/sub>SiPPPPSi<em>t<\/em>Bu<sub>3<\/sub>] (M = Li, Na, Rb, Cs) and Ba[<em>t<\/em>Bu<sub>3<\/sub>SiPPPPSi<em>t<\/em>Bu<sub>3<\/sub>]: Reactivity and&nbsp;<em>cis<\/em>&#8211;<em>trans<\/em>&nbsp;isomerization<\/strong><br>A. Lorbach, A. Nadj, S. T\u00fcllmann, F. Dornhaus, F. Sch\u00f6del, I. S\u00e4nger, G. Margraf, J. W. Bats, M. Bolte, M. C. Holthausen, M. Wagner, H.-W. Lerner<br><a href=\"http:\/\/pubs.acs.org\/doi\/10.1021\/ic8016003\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Inorg. Chem.<\/em>&nbsp;48, 1005 (<strong>2009<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Aromatic Hydroxylation in a Copper Bis(imine) Complex Mediated by a&nbsp;<\/strong><strong>\u03bc<\/strong><strong>&#8211;<\/strong><strong>\u03b7<\/strong><strong><sup>2<\/sup><\/strong><strong>&#8211;<\/strong><strong>\u03b7<\/strong><strong><sup>2<\/sup><\/strong><strong>&nbsp;Peroxo Dicopper Core: A Mechanistic Scenario<\/strong><br>O. Sander, A. Hen\u00df, C. N\u00e4ther, C. W\u00fcrtele, M. C. Holthausen, S. Schindler, F. Tuczek<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/full\/10.1002\/chem.200800799\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Eur. J.<\/em>&nbsp;14, 9714 (<strong>2008<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Copper Complexes of Mono- and Ditopic [(Methylthio)methly]borates: Missing Links and Linked Systems En Route to Copper Enzyme Models<\/strong><br>K. Ruth, S. T\u00fcllmann, H. Vitze, M. Bolte, H.-W. Lerner, M. C. Holthausen, M. Wagner<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/full\/10.1002\/chem.200800588\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Eur. J.<\/em>&nbsp;14, 6754 (<strong>2008<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>The Phenoxy\/Phenol\/Copper Cation: A Minimalistic Model of Bonding Relations in Active Centers of Mononuclear Copper Enzymes<\/strong><br>P. Milko, J. Roithov\u00e1, D. Schr\u00f6der, J. Lemaire, H. Schwarz, M. C. Holthausen<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/full\/10.1002\/chem.200800052\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Eur. J.<\/em>&nbsp;14, 4318 (<strong>2008<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Reactions of a&nbsp;Copper(II) Superoxo Complex Lead to C<\/strong><strong>&#8211;<\/strong><strong>H and O<\/strong><strong>&#8211;<\/strong><strong>H Substrate Oxygenation: Modeling Copper-Monooxygenase C<\/strong><strong>&#8211;<\/strong><strong>H Hydroxylation<\/strong><br>D. Maiti, D.-H. 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Chem.<\/em>&nbsp;119, 449 (<strong>2007<\/strong>)<\/a>;&nbsp;<a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/full\/10.1002\/anie.200603676\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem. Int. Ed.<\/em>&nbsp;46, 445 (<strong>2007<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Ethylene Addition to&nbsp;OsO<sub>3<\/sub>(CH<sub>2<\/sub>) &#8211; A Theoretical Study<\/strong><br>D. Cappel, S. T\u00fcllmann, C. Loschen, M. C. Holthausen, G. Frenking<br><a href=\"http:\/\/www.sciencedirect.com\/science\/article\/pii\/S0022328X06002099\" target=\"_blank\" rel=\"noreferrer noopener\"><em>J. Organomet. Chem.<\/em>&nbsp;691, 4467 (<strong>2006<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Special Issue: Theoretical Bioinorganic Chemistry<\/strong><br>M. C. Holthausen, G. Frenking (Eds.)<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/jcc.20445\" target=\"_blank\" rel=\"noreferrer noopener\"><em>J. Comput. 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Structures and Bonding Analyses of Beryllium Chloro Complexes with Nitrogen Donors<\/strong><br>S. Metz, M. C. Holthausen,&nbsp;G. Frenking<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/abs\/10.1002\/zaac.200500438\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Z. Allg. Anorg. Chem.<\/em>&nbsp;632, 814 (<strong>2006<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>A Synthetic Route to Borylene-Bridged&nbsp;Poly(ferrocenylene)s<\/strong><br>J. B. Heilman, M. Scheibitz, Y. Qin, A. Sundararaman, F. J\u00e4ckle, T. Kretz , M. Bolte, H.-W. Lerner, M. C. Holthausen, M. Wagner<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/full\/10.1002\/anie.200503515\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem. Int. Ed.<\/em>&nbsp;45, 920 (<strong>2006<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Benchmarking Approximate Density Functional Theory. I. s\/d Excitation Energies in 3d Transition Metal Cations<\/strong><br>M. C. Holthausen<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/jcc.20279\" target=\"_blank\" rel=\"noreferrer noopener\"><em>J. Comput. Chem.<\/em>&nbsp;26, 1505 (<strong>2005<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Chemo- and Periselectivity in the Addition of OsO<sub>2<\/sub>(CH<sub>2<\/sub>)<sub>2<\/sub>&nbsp;to Ethylene: A Theoretical Study<\/strong><br>M. H\u00f6lscher, W. Leitner, M. C. Holthausen, G. Frenking<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/chem.200500217\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Eur. J.<\/em>&nbsp;11, 4700 (<strong>2005<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Trendbericht Theoretische Chemie<\/strong><br>G. Stock, D.&nbsp;Luckhaus, M. C. Holthausen<br><a href=\"http:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/nadc.20050530314\/abstract\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Nachr. Chem.<\/em>&nbsp;53, 287 (<strong>2005<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Book review: Calculation of NMR and EPR Parameters by M. Kaupp, M. B\u00fchl, V.G. Malkin (Eds.)<\/strong><br>M. C. Holthausen<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/full\/10.1002\/cphc.200400554\" target=\"_blank\" rel=\"noreferrer noopener\"><em>ChemPhysChem<\/em>&nbsp;6, 557 (<strong>2005<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>C<sub>5<\/sub>H<sub>4<\/sub>-BR<sub>2<\/sub>&nbsp;Bending in Ferrocenylboranes: Does it indicate a Through-Space Interaction&nbsp;Between&nbsp;Iron and Boron<\/strong>?<br>M.&nbsp;Scheibitz, M. Bolte, J. W.&nbsp;Bats, H.-W. Lerner, I.&nbsp;Nowik, R. H. Herber, A. Krapp, M. Lein, M. C. Holthausen, M. Wagner<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/full\/10.1002\/chem.200400690\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Eur. J.<\/em>&nbsp;11, 584 (<strong>2005<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Radical-like Activation of Alkanes by the Ligated Copper Oxide Cation (Phenanthroline)CuO<sup>+<\/sup><\/strong><br>D. Schr\u00f6der, M. C. Holthausen, H. Schwarz<br><a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/jp0496452\" target=\"_blank\" rel=\"noreferrer noopener\"><em>J. Phys. Chem. B.<\/em>&nbsp;108, 14407 (<strong>2004<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Combined Spectroscopic and Theoretical Evidence for a Persistent End-On Copper-Superoxo Complex<\/strong><br>M. Schatz, V. Raab, S. P. Foxon, G. Brehm, S. Schneider, M. Reiher, M. C. Holthausen, J. Sundermeyer,&nbsp;S. Schindler<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/ange.200454125\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem.<\/em>&nbsp;116, 4460 (<strong>2004<\/strong>)<\/a>;&nbsp;<a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/full\/10.1002\/anie.200454125\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem. Int. Ed.<\/em>&nbsp;43, 4360 (<strong>2004<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Multiply Borylated Arenes: X-ray Crystal Structure Analyses and Quantum Chemical Calculations<\/strong><br>M. Haberecht, J. Heilmann, A. Haghiri, M. Bolte, J. W. Bats,<sup>&nbsp;<\/sup>M. C. Holthausen, M. Wagner<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/abs\/10.1002\/zaac.200400021\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Z. Allg. Anorg. Chem.<\/em>&nbsp;630, 904 (<strong>2004<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Mechanism of the Aliphatic Hydroxylation Mediated by a&nbsp;Bis(\u03bc-oxo)dicopper(III) Complex<\/strong><br>P. Spuhler, M. C. Holthausen<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/ange.200352231\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem.<\/em>&nbsp;115, 6143 (<strong>2003<\/strong>)<\/a>;&nbsp;<a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/full\/10.1002\/anie.200352231\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem. Int. Ed.<\/em>&nbsp;42, 5961 (<strong>2003<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Bond Energies and Structures of CuNO<sup>+<\/sup>&nbsp;and Cu(NO)<sub>2<\/sub><sup>+<\/sup><\/strong><br>K. Koszinowski, D. Schr\u00f6der, H. Schwarz, M. C. Holthausen, J. Sauer, H. Koizumi, P. B. Armentrout<br><a href=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/ic020315a\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Inorg. Chem.<\/em>&nbsp;41, 5882 (<strong>2002<\/strong>)<\/a>;&nbsp;<a href=\"https:\/\/doi.org\/10.1021\/ic020678a\" data-type=\"link\" data-id=\"https:\/\/doi.org\/10.1021\/ic020678a\" target=\"_blank\" rel=\"noreferrer noopener\">41, 7170 (<strong>2002<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>On the Existence of Cu<sup>+<\/sup>-Dimers in ZSM-5 &#8211; A Computational Study<\/strong><br>P. Spuhler, M. C. Holthausen, D. Nachtigalov\u00e1, P. Nachtigall, J. Sauer<br><a href=\"https:\/\/doi.org\/10.1002\/1521-3765(20020503)8:9%3C2099::AID-CHEM2099%3E3.0.CO;2-D\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Eur. J.<\/em><strong>&nbsp;<\/strong>8, 2099 (<strong>2002<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Photochemical Synthesis of 3,4-Dihydro-2H-1,3-oxazin-4-ones<\/strong><br>P. Wessig, J. Schwarz, U. Lindemann, M. C. Holthausen<br><a href=\"http:\/\/www.thieme-connect.com\/products\/ejournals\/abstract\/10.1055\/s-2001-15061\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Synthesis<\/em>&nbsp;8, 1258 (<strong>2001<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Crossed-Beam Study of Co<sup>+<\/sup>(&nbsp;<sup>3<\/sup>F<sub>4&nbsp;<\/sub>) + Propane: Experiment and Density Functional Theory<\/strong><br>S. S. Yi, E. L. Reichert, M. C. Holthausen, W. Koch, J. C. Weisshaar<br><a href=\"https:\/\/doi.org\/10.1002\/1521-3765(20000616)6:12%3C2232::AID-CHEM2232%3E3.0.CO;2-M\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Eur. J.<\/em>&nbsp;6, 2232 (<strong>2000<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>The Potential Energy Surface of the (N<sub>2<\/sub>O&nbsp;<sup>.<\/sup><sup>&nbsp;<\/sup>H<sub>2<\/sub>O)<sup>+<\/sup>&nbsp;Cluster Cation<\/strong><br>J. Stevens, M. C. Holthausen, K. Morokuma<br><a href=\"https:\/\/aip.scitation.org\/doi\/10.1063\/1.480163\" target=\"_blank\" rel=\"noreferrer noopener\"><em>J. Chem. Phys.<\/em>&nbsp;111, 7766 (<strong>1999<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Synthesis, Solid State Structure and Electronic Nature of a Phosphinine Stabilized Triangulo Palladium Cluster<\/strong><br>M. T. Reetz, E. Bohres, R. Goddard, M. C. Holthausen, W. Thiel<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/abs\/10.1002\/%28SICI%291521-3765%2819990702%295%3A7%3C2101%3A%3AAID-CHEM2101%3E3.0.CO%3B2-0\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Eur. J.<\/em>&nbsp;5, 2101 (<strong>1999<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Theory Predicts Ground State Triplet Silylenes<\/strong><br>M. C. Holthausen, W. Koch, Y. Apeloig<br><a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/ja9834935\" target=\"_blank\" rel=\"noreferrer noopener\"><em>J. Am. Chem. Soc.<\/em>&nbsp;121, 2623&nbsp;(<strong>1999<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Mass Spectrometric and Quantum Mechanical Analysis of Gas-Phase Formation, Structure, and Decomposition of Various b2 Ions and their Specifically Deuterated Analogs<\/strong><br>K. Eckart, M. C. Holthausen, W. Koch, J. Spiess&nbsp;<br><a href=\"http:\/\/www.springerlink.com\/content\/k72172k425k34524\/\" target=\"_blank\" rel=\"noreferrer noopener\"><em>J. Am. Soc. Mass. Spectrom.<\/em>&nbsp;9, 1002&nbsp;(<strong>1998<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>New Implementation of the ONIOM Method and Its Application to Various Chemical Reactions and Structure<\/strong><br>K. Morokuma, S. Dapprich, I. Komaromi, R. D. Froese, M. C. Holthausen, D. G. Musaev, S. Byun, S. Khoroshun<br><em>Abstr. Pap. Am. Chem. Soc.<\/em>&nbsp;214, 74 (<strong>1997<\/strong>)<br>&nbsp;<\/li>\n\n\n\n<li><strong>Synergy of Experiment and Theory in the Remote Functionalization of Aliphatic Nitriles by Bare Fe(I) and Co(I) Cations in the Gas Phase<\/strong><br>M. C. Holthausen, G. Hornung, D. Schr\u00f6der, S. Sen, W. Koch, H. Schwarz&nbsp;<br><a href=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/om970229w\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Organometallics<\/em>&nbsp;16, 3135&nbsp;(<strong>1997<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>HUNTER: Conformational Search Program for Acyclic to Polycyclic Molecules with Special Emphasis on Stereochemisty<\/strong><br>J. Weiser, M. C. Holthausen, L. Fitjer&nbsp;<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/abs\/10.1002\/%28SICI%291096-987X%2819970730%2918%3A10%3C1264%3A%3AAID-JCC2%3E3.0.CO%3B2-L\" target=\"_blank\" rel=\"noreferrer noopener\"><em>J. Comput. Chem.<\/em>&nbsp;18, 1264&nbsp;(<strong>1997<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>HUNTER: QCPE program 674<\/strong><br>J. Weiser, M. C. Holthausen, L. Fitjer<br><em>QCPE Bulletin<\/em>&nbsp;17, 29 (<strong>1997<\/strong>)<br>&nbsp;<\/li>\n\n\n\n<li><strong>Mechanistic Details of the Fe<sup>+<\/sup>-Mediated C-C- and C-H Bond Activations in Propane: A Theoretical Investigation<\/strong><br>M. C. Holthausen, W. Koch<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/abs\/10.1002\/hlca.19960790717\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Helv. Chim. Act.<\/em>&nbsp;79, 1939&nbsp;(<strong>1996<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>The [Si,C,H<sub>3<\/sub>,O]<sup>+<\/sup>&nbsp;Potential Energy Surface. A Combined Quantum Chemical and Mass Spectrometric Study<\/strong><br>M. C. Holthausen, D. Schr\u00f6der, W. Zummack, H. Schwarz, W. Koch<br><a href=\"http:\/\/www.rsc.org\/ejarchive\/P2\/1996\/P29960002389.pdf\" target=\"_blank\" rel=\"noreferrer noopener\"><em>J. Chem. Soc., Perkin Trans.<\/em>&nbsp;2, 2389&nbsp;(<strong>1996<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>A Theoretical View on the Co<sup>+<\/sup>&nbsp;Mediated C-C and C-H Bond Activation in Ethane<\/strong><br>M. C. Holthausen, W. Koch&nbsp;<br><a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/ja954090x\" target=\"_blank\" rel=\"noreferrer noopener\"><em>J. Am. Chem. Soc.<\/em>&nbsp;118, 9932&nbsp;(<strong>1996<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>How Does Fe<sup>+<\/sup>&nbsp;Activate C-C and C-H Bonds in Ethane? A Theoretical Investigation Using Density Functional Theory<\/strong><br>M. C. Holthausen, A. Fiedler, H. Schwarz, W. Koch&nbsp;<br><a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/jp952774l\" target=\"_blank\" rel=\"noreferrer noopener\"><em>J. Phys. Chem.<\/em>&nbsp;100, 6236&nbsp;(<strong>1996<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Structure of Isomeric Gly-Pro b2 Ions Calculated by Ab-Initio Methods<\/strong><br>K. Eckart, M. C. Holthausen, T. Br\u00e4uninger, W. Koch, J. Spiess&nbsp;<br><em>Proc. Mass Spectrom. All. Top.<\/em>&nbsp;1046 (<strong>1995<\/strong>)<br>&nbsp;<\/li>\n\n\n\n<li><strong>Mechanisms of the Fe<sup>+<\/sup>&nbsp;Mediated C-C and C-H Bond Activations in Ethane from a Theoretical Viewpoint<\/strong><br>M. C. Holthausen, A. Fiedler, H.&nbsp;Schwarz, W. Koch&nbsp;<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/ange.19951072016\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem.<\/em>&nbsp;107, 2430&nbsp;(<strong>1995<\/strong>)<\/a>;&nbsp;<a href=\"https:\/\/doi.org\/10.1002\/anie.199522821\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem. Int. Ed.<\/em>&nbsp;34, 2282 (<strong>1995<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>The Performance of Density Functional\/Hartree-Fock Hybrid Methods: The Bonding in Cationic First-Row Transition Metal Methylene Complexes<\/strong><br>M. C. Holthausen, M. Mohr, W. Koch<br><a href=\"http:\/\/www.sciencedirect.com\/science\/article\/pii\/000926149500535C\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Phys. Lett.<\/em>&nbsp;240, 245&nbsp;(<strong>1995<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>A Theoretical Study of the [Al,H,C,N]<sup>+<\/sup>&nbsp;Potential Energy Surface Combined with Experimental Investigations on Al(HCN)<sup>+<\/sup><\/strong><br>D. St\u00f6ckigt, M. C. Holthausen, W. Koch, H. Schwarz<br><a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/j100016a033\" target=\"_blank\" rel=\"noreferrer noopener\"><em>J. Phys. Chem.<\/em>&nbsp;99, 5950&nbsp;(<strong>1995<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>The Performance of Density Functional\/Hartree-Fock Hybrid Methods &#8211; Cationic Transition Metal Methyl Complexes MCH<sub>3<\/sub><sup>+<\/sup>&nbsp;(M=Sc-Cu; La; Hf-Au)<\/strong><br>M. C. Holthausen, C. Heinemann, H. H. Cornehl, H. Schwarz, W. Koch<br><a href=\"http:\/\/scitation.aip.org\/content\/aip\/journal\/jcp\/102\/12\/10.1063\/1.469541\" target=\"_blank\" rel=\"noreferrer noopener\"><em>J. Chem. Phys.<\/em>&nbsp;102, 4931&nbsp;(<strong>1995<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Ab initio MO and Approximate Density Functional Theory Studies on the Lowest Singlet and Triplet States of s- and as-Indacene<\/strong><br>R. H. Hertwig, M. C. Holthausen, W. Koch, Z. B. Maksic<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/abs\/10.1002\/qua.560540303\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Int. J. Quant. Chem.<\/em>&nbsp;54, 147&nbsp;(<strong>1995<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>s-Indacene<\/strong><strong>: A Delocalized, Formally Anti-Aromatic 12-<\/strong><strong>p<\/strong><strong>-Electron System<\/strong><br>R. H. Hertwig, M. C. Holthausen, W. Koch, Z. B. Maksic<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/ange.19941061124\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem.<\/em>&nbsp;106, 1252 (<strong>1994<\/strong>)<\/a>;&nbsp;<a href=\"https:\/\/doi.org\/10.1002\/anie.199411921\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem. Int. Ed. Engl.<\/em>&nbsp;33, 1192&nbsp;(<strong>1994<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>1(9) Homocubene and 9-Homocubylidene. Theoretical Investigation of Structures, Energies and Rearrangement Reactions<\/strong><br>M. C. Holthausen, W. Koch<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/ange.19941060614\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem.<\/em>&nbsp;106, 682 (<strong>1994<\/strong>)<\/a>;&nbsp;<a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/abs\/10.1002\/anie.199406681\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem. Int. Ed. Engl.<\/em>&nbsp;33, 668&nbsp;(<strong>1994<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>A Gaussian-1 Type ab initio MO Study on the [C,H<sub>2<\/sub>,N,O] Potential Energy Surface. Evidence for Three Distinguishable Isomers in the Gas Phase<\/strong><br>J. Hru\u0161\u00e1k, M. C. Holthausen, N. Goldberg, M. Iraqi, W. Koch, H. Schwarz.<br><a href=\"http:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/ijch.199300034\/abstract\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Isr. J. Chem.<\/em>&nbsp;33, 277\u2013286 (<strong>1993<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Mass Spectrometric and Gaussian-2 Studies of the Diazene (HNNH) and iso-Diazene (H<sub>2<\/sub>NN) Molecules and their Radical Cations<\/strong><br>N. Goldberg, M. C. Holthausen, J. Hru\u0161\u00e1k, W. Koch, H. Schwarz&nbsp;<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/abs\/10.1002\/cber.19931261227\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Ber.<\/em>&nbsp;126, 2753&nbsp;(<strong>1993<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>The Double Bond Geometry in Norbornene, Sesquinorbornenes and Related Compounds. A High Level Quantum Chemical Investigation<\/strong><br>M. C. Holthausen, W. Koch&nbsp;<br><a href=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/j100141a021\" target=\"_blank\" rel=\"noreferrer noopener\"><em>J. Phys. Chem.<\/em>&nbsp;97, 10021&nbsp;(<strong>1993<\/strong>)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Ab initio Molecular Orbital Study on R<sub>3<\/sub>SiCO<sup>+<\/sup>\/R<sub>3<\/sub>SiOC<sup>+<\/sup>&nbsp;(R=H, CH<sub>3<\/sub>)<\/strong><br>W. Koch, M. C. Holthausen&nbsp;<br><a href=\"http:\/\/www.sciencedirect.com\/science\/article\/pii\/016811769387090F\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Int. J. Mass Spectrom. Ion Proc.<\/em>&nbsp;127, 183&nbsp;(<strong>1993<\/strong>)<\/a><br>&nbsp;<\/li>\n<\/ul>\n","protected":false},"excerpt":{"rendered":"<p>Books&nbsp;and&nbsp;Book&nbsp;Chapters Journals<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-10","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/holthausen.anorg.chemie.uni-frankfurt.de\/index.php\/wp-json\/wp\/v2\/pages\/10","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/holthausen.anorg.chemie.uni-frankfurt.de\/index.php\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/holthausen.anorg.chemie.uni-frankfurt.de\/index.php\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/holthausen.anorg.chemie.uni-frankfurt.de\/index.php\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/holthausen.anorg.chemie.uni-frankfurt.de\/index.php\/wp-json\/wp\/v2\/comments?post=10"}],"version-history":[{"count":52,"href":"https:\/\/holthausen.anorg.chemie.uni-frankfurt.de\/index.php\/wp-json\/wp\/v2\/pages\/10\/revisions"}],"predecessor-version":[{"id":705,"href":"https:\/\/holthausen.anorg.chemie.uni-frankfurt.de\/index.php\/wp-json\/wp\/v2\/pages\/10\/revisions\/705"}],"wp:attachment":[{"href":"https:\/\/holthausen.anorg.chemie.uni-frankfurt.de\/index.php\/wp-json\/wp\/v2\/media?parent=10"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}