Reductive Elimination From Tetra-Alkyl Cuprates [MenCu(CF3)4−n] (n=0–4): Beyond Simple Oxidation States

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

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

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Abstract

In recent years, the electronic structures of organocuprates in general and the complex [Cu(CF3)4] in particular have attracted significant interest. A possible key indicator in this context is the reactivity of these species. Nonetheless, this aspect has received only limited attention. Here, we systematically study the series of tetra-alkyl cuprates [MenCu(CF3)4−n] and their unimolecular reactivity in the gas phase, which includes concerted formal reductive eliminations as well as radical losses. Through computational studies, we characterize the electronic structures of the complexes and show how these are connected to their reactivity. We find that all [MenCu(CF3)4−n] ions feature inverted ligand fields and that the distinct reactivity patterns of the individual complexes arise from the interplay of different effects.

Original languageEnglish
Article numbere202409315
Number of pages7
JournalAngewandte Chemie - International Edition
Volume63
Issue number44
DOIs
Publication statusPublished - 24-Oct-2024

Keywords

  • cuprates
  • gas-phase reactions
  • ligand effects
  • quantum chemistry
  • trifluoromethyl

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