Molecular mechanism of acid-triggered aryl-halide reductive elimination in well-defined aryl-Cu(III)-halide species

Dalton Trans. 2010 Nov 21;39(43):10458-63. doi: 10.1039/c0dt00284d. Epub 2010 Oct 1.

Abstract

Well-defined aryl-Cu(III)-halide species undergo reductive elimination upon acid addition resulting in the formation of strong aryl-halide bonds. The computationally studied mechanism points towards ligand protonation as the rate-determining step, in agreement with previous experimental data.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Copper / chemistry*
  • Halogens / chemistry*
  • Hydrocarbons, Aromatic / chemistry*
  • Models, Molecular
  • Molecular Conformation
  • Oxidation-Reduction

Substances

  • Halogens
  • Hydrocarbons, Aromatic
  • Copper