A computational study of the methanolysis of palladium-acyl bonds

Steven M. A. Donald, Stuart A. Macgregor, Volker Settels, David J. Cole-Hamilton, Graham R. Eastham

Research output: Contribution to journalArticlepeer-review

37 Citations (Scopus)

Abstract

Density functional calculations suggest that intermolecular attack of methanol may be important in the methanolysis of simple Pd-acyl systems and that the energetics of this process are strongly dependent on the metal coordination environment.

Original languageEnglish
Pages (from-to)562-564
Number of pages3
JournalChemical Communications
Issue number6
DOIs
Publication statusPublished - 2007

Keywords

  • CARBON-MONOXIDE
  • ALTERNATING COPOLYMERIZATION
  • COMPLEXES RELEVANT
  • METHYL PROPANOATE
  • ETHENE
  • METHOXYCARBONYLATION

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