{"id":26,"date":"2024-11-15T16:13:02","date_gmt":"2024-11-15T16:13:02","guid":{"rendered":"https:\/\/pandora.anorg.chemie.uni-frankfurt.de\/?page_id=26"},"modified":"2025-01-20T13:45:17","modified_gmt":"2025-01-20T12:45:17","slug":"welcome","status":"publish","type":"page","link":"https:\/\/holthausen.anorg.chemie.uni-frankfurt.de\/","title":{"rendered":"Welcome"},"content":{"rendered":"\n<figure class=\"wp-block-image size-full\"><img loading=\"lazy\" decoding=\"async\" width=\"3662\" height=\"2441\" src=\"https:\/\/holthausen.anorg.chemie.uni-frankfurt.de\/wp-content\/uploads\/2024\/11\/gruppenfoto2018.jpeg\" alt=\"\" class=\"wp-image-35\"\/><\/figure>\n\n\n\n<div style=\"height:32px\" aria-hidden=\"true\" class=\"wp-block-spacer\"><\/div>\n\n\n\n<h3 class=\"wp-block-heading\">Research Profile<\/h3>\n\n\n\n<p>Our central field of research is computational chemistry, with a focus on quantum chemistry. We apply <em>ab initio<\/em> or density functional methods to explore reaction mechanisms and to&nbsp;understand the structure and spectroscopy of molecules with unusual electronic and magnetic properties. Our research interests are interdisciplinary and cover areas such as main-group and&nbsp;bioinorganic chemistry, homogenous catalysis, material science, molecular energy carriers, and gas phase chemistry. In recent years our research activities have expanded with a special focus on&nbsp;silicon chemistry and plasma chemistry,&nbsp;fields in which we have started to pursue experimental work as well.&nbsp;Many of our current activities involve close cooperation with experimental groups and industry partners.<\/p>\n\n\n\n<div style=\"height:32px\" aria-hidden=\"true\" class=\"wp-block-spacer\"><\/div>\n\n\n\n<h3 class=\"wp-block-heading has-text-align-left\">Representative Publications<\/h3>\n\n\n\n<ul class=\"wp-block-list\">\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>\u00a016, 1788\u00a0(2024)<\/a>;\u00a0<mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\">highlight in:<\/mark>\u00a0<a href=\"https:\/\/doi.org\/10.1038\/s41557-024-01654-2\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Nat. Chem.<\/em>\u00a016, 1741\u00a0(2024)<\/a>, <a href=\"https:\/\/doi.org\/10.1002\/nadc.20254146259\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Nachr. Chem.<\/em>\u00a073, 55 (2025)<\/a><br>\u00a0<\/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 (2023)<\/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&nbsp;(2022)<\/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>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><em><a href=\"https:\/\/doi.org\/10.1038\/s41557-020-0522-4\" target=\"_blank\" rel=\"noreferrer noopener\">Nat. Chem.&nbsp;<\/a><\/em><a href=\"https:\/\/doi.org\/10.1038\/s41557-020-0522-4\" target=\"_blank\" rel=\"noreferrer noopener\">12, 1054 (2020);&nbsp;<\/a><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\"><br>highlight in:<\/mark>&nbsp;<a href=\"http:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/nadc.20174059829\/full\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Nachr. Chem.<\/em>&nbsp;69, 67 (2021)<\/a>,&nbsp;<a href=\"https:\/\/doi.org\/10.1016\/j.trechm.2020.11.005\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Trends Chem.<\/em>&nbsp;3, 251 (2021)<\/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. Braunschweig<br><a href=\"http:\/\/science.sciencemag.org\/content\/363\/6433\/1329\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Science<\/em>&nbsp;363, 1329 (2019)<\/a>;&nbsp;<mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\">highlight in:<\/mark>&nbsp;<a href=\"https:\/\/www.spektrum.de\/news\/widerspenstiger-stickstoff-gezaehmt\/1634380\">spektrum.de<\/a>,&nbsp;<a href=\"https:\/\/aktuelles.uni-frankfurt.de\/forschung\/durchbruch-in-der-stickstoffchemie\/\" target=\"_blank\" rel=\"noreferrer noopener\">press release<\/a>;&nbsp;<mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\">Highly Cited Paper<\/mark>&nbsp;<a href=\"http:\/\/apps.webofknowledge.com\/full_record.do?product=WOS&amp;search_mode=GeneralSearch&amp;qid=18&amp;SID=C3bOaV4UB8DsrUcofpe&amp;page=1&amp;doc=6\" target=\"_blank\" rel=\"noreferrer noopener\">(Web of Science)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Reductive nitric oxide coupling at a dinickel core: Isolation of a key cis-hyponitrite intermediate en route to N<sub>2<\/sub>O formation<\/strong><br>E. Ferretti, S. Dechert, S. Demeshko, M. C. Holthausen, F. Meyer<br><a href=\"https:\/\/www.onlinelibrary.wiley.com\/doi\/10.1002\/anie.201811925\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem. Int. Ed.<\/em>&nbsp;58, 1705 (2019)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Intercepting the Disilene-Silylsilylene Equilibrium<\/strong><br>M. W. Stanford, J. I. Schweizer, M. Menche, G. S. Nichol, M. C. Holthausen, M. J. Cowley<br><a href=\"https:\/\/www.onlinelibrary.wiley.com\/doi\/10.1002\/anie.201810056\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew. Chem. Int. Ed.<\/em>&nbsp;58, 1329 (2019)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Hydrosilane synthesis by catalytic hydrogenolysis of chlorosilanes and silyl triflates<\/strong><br>A. Gl\u00fcer, J. I. Schweizer, U. Karaca, C. W\u00fcrtele, M. Diefenbach, M. C. Holthausen, S. Schneider<br><a href=\"https:\/\/pubs.acs.org\/doi\/full\/10.1021\/acs.inorgchem.8b02336\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Inorg. Chem.&nbsp;<\/em>57, 13822 (2018)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Aerobic aliphatic hydroxylation reactions by copper complexes: A simple clip-and-cleave concept<\/strong><br>J.&nbsp;Becker, Y.&nbsp;Y.&nbsp;Zhyhadlo, E.&nbsp;D.&nbsp;Butova, A.&nbsp;Fokin, F. M.&nbsp;Metz, P.&nbsp;R.&nbsp;Schreiner, M.&nbsp;F\u00f6rster, M.&nbsp;C.&nbsp;Holthausen, P.&nbsp;Specht, S.&nbsp;Schindler<br><a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/chem.201802607\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Chem. Eur. J.&nbsp;<\/em>24, 15543 (2018)<\/a>;&nbsp;<mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\">highlighted as &#8220;Hot Paper&#8221;<\/mark>;&nbsp;<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>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<a href=\"http:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/anie.201701504\/epdf\" target=\"_blank\" rel=\"noreferrer noopener\"><br><em>Angew. Chem. Int. Ed.<\/em>&nbsp;56, 5872 (2017)<\/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<a href=\"http:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/chem.201604829\/epdf\" target=\"_blank\" rel=\"noreferrer noopener\"><br><em>Chem. Eur. J.<\/em>&nbsp;23, 1427 (2017)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Unraveling the Amine-Induced Disproportionation Reaction of Perchlorinated Silanes \u2013 A DFT Study<\/strong><br>J. I. Schweizer, L. Meyer, A. Nadj, M. Diefenbach, M. C. Holthausen<a href=\"http:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/chem.201602724\/epdf\" target=\"_blank\" rel=\"noreferrer noopener\"><br><em>Chem.&nbsp;Eur. J.<\/em>&nbsp;22, 14328 (2016)<\/a>;&nbsp;<mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\">chosen as &#8220;Hot&nbsp;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,&nbsp;M. G. Scheibel, M. Diefenbach, F. Neumeyer, C. W\u00fcrtele, N. Kulminskaya, R. Linser, N. Auner, S. Schneider, and&nbsp;M. C. Holthausen<a href=\"http:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/anie.201510477\/abstract\" target=\"_blank\" rel=\"noreferrer noopener\"><br><em>Angew. Chem. Int. Ed.<\/em> 55,1782 (2016)<\/a>;&nbsp;<mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\">highlight in:<\/mark>&nbsp;<a href=\"http:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/nadc.20174059829\/full\" target=\"_blank\" rel=\"noreferrer noopener\">Nachr. Chem. 65, 245&nbsp;(2017)<\/a><br>&nbsp;<\/li>\n\n\n\n<li><strong>Confirmed by X-ray crystallography: The B\u2022B one-electron \u03c3 bond<\/strong><br>A. H\u00fcbner, A. M. Diehl, M. Diefenbach, B. Endeward, M. Bolte, H.-W. Lerner, M. C. Holthausen, M. Wagner<br><a href=\"http:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/anie.201402158\/abstract\"><em>Angew. Chem.<\/em>&nbsp;53, 4832&nbsp;(2014)<\/a>;&nbsp;<mark style=\"background-color:rgba(0, 0, 0, 0);color:#f10d0d\" class=\"has-inline-color\">chosen as &#8220;VIP Paper&#8221;<\/mark>;&nbsp;<a href=\"http:\/\/www.nzz.ch\/wissenschaft\/physik\/exotische-verknuepfungen-1.18292156\">newspaper article<\/a>&nbsp;(Neue Z\u00fcrcher Zeitung)<\/li>\n<\/ul>\n","protected":false},"excerpt":{"rendered":"<p>Research Profile Our central field of research is computational chemistry, with a focus on quantum chemistry. We apply ab initio or density functional methods to explore reaction mechanisms and to&nbsp;understand the structure and spectroscopy of molecules with unusual electronic and magnetic properties. Our research interests are interdisciplinary and cover areas&hellip;<\/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-26","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/holthausen.anorg.chemie.uni-frankfurt.de\/index.php\/wp-json\/wp\/v2\/pages\/26","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=26"}],"version-history":[{"count":14,"href":"https:\/\/holthausen.anorg.chemie.uni-frankfurt.de\/index.php\/wp-json\/wp\/v2\/pages\/26\/revisions"}],"predecessor-version":[{"id":509,"href":"https:\/\/holthausen.anorg.chemie.uni-frankfurt.de\/index.php\/wp-json\/wp\/v2\/pages\/26\/revisions\/509"}],"wp:attachment":[{"href":"https:\/\/holthausen.anorg.chemie.uni-frankfurt.de\/index.php\/wp-json\/wp\/v2\/media?parent=26"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}