Reduktive Eliminierung von Tetraalkylcupraten [Me n Cu(CF 3 ) 4− n ] − ( n =0–4): jenseits einfacher Oxidationsstufen

Zimmer, Bastian; Havenith, Remco W. A.; Klein, Johannes E. M. N.; Koszinowski, Konrad

doi:10.1002/ange.202409315

Title: Reduktive Eliminierung von Tetraalkylcupraten [Me _n Cu(CF ₃ ) _{4− n} ] ⁻ ( n =0–4): jenseits einfacher Oxidationsstufen

Journal Article · 17 September 2024 · Angewandte Chemie

DOI: https://doi.org/10.1002/ange.202409315 · OSTI ID:2446736

Zimmer, Bastian ^[1]; Havenith, Remco W. A. ^[2]; Klein, Johannes E. M. N. ^[3];

^[1]

Institut für Organische und Biomolekulare Chemie Universität Göttingen Tammannstr. 2 37077 Göttingen Germany
Molecular Inorganic Chemistry Stratingh Institute for Chemistry University of Groningen Nijenborgh 3 9747 AG Groningen The Netherlands, Zernike Institute of Advanced Materials University of Groningen Nijenborgh 3 9747 AG Groningen The Netherlands, Department of Chemistry Ghent University Krijgslaan 281 (S3) B-9000 Gent Belgium
Molecular Inorganic Chemistry Stratingh Institute for Chemistry University of Groningen Nijenborgh 3 9747 AG Groningen The Netherlands

Abstract In den letzten Jahren haben Organocuprate im Allgemeinen und der Komplex [Cu(CF ₃ ) ₄ ] ⁻ im Besonderen wegen ihrer elektronischen Strukturen erhebliches Interesse auf sich gezogen. Obwohl der Reaktivität dieser Spezies in diesem Zusammenhang eine Schlüsselrolle zukommen dürfte, fand dieser Aspekt bisher nur wenig Beachtung. Wir untersuchen hier systematisch die Reihe der Tetraalkylcuprate [Me _n Cu(CF ₃ ) _{4− n} ] ⁻ und ihre Gasphasenreaktivität, die sowohl konzertierte reduktive Eliminierungen als auch Radikalverluste umfasst. Mit Hilfe quantenchemischer Rechnungen charakterisieren wir die elektronischen Strukturen der Komplexe und zeigen, wie sie mit der Reaktivität zusammenhängen. Wir finden, dass alle Ionen [Me _n Cu(CF ₃ ) _{4− n} ] ⁻ invertierte Ligandenfelder aufweisen und dass sich die unterschiedlichen Reaktivitäten der individuellen Komplexe aus dem Zusammenspiel verschiedener Effekte ergeben.

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Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 2446736

Journal Information:: Angewandte Chemie, Journal Name: Angewandte Chemie Journal Issue: 44 Vol. 136; ISSN 0044-8249

Publisher:: Wiley Blackwell (John Wiley & Sons)Copyright Statement

Country of Publication:: Germany

Language:: English

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Title: Reduktive Eliminierung von Tetraalkylcupraten [Me n Cu(CF 3 ) 4− n ] − ( n =0–4): jenseits einfacher Oxidationsstufen

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Title: Reduktive Eliminierung von Tetraalkylcupraten [Me _n Cu(CF ₃ ) _{4− n} ] ⁻ ( n =0–4): jenseits einfacher Oxidationsstufen