Mechanistic insights into the double C-H (de)activation route of a Ru-based olefin metathesis catalyst

Albert Poater, Luigi Cavallo*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

56 Scopus citations

Abstract

Ru-complexes relevant to olefin catalysis suffer from deactivation reactions whose mechanism is often difficult to understand. We report here a detailed DFT study showing all the steps that convert the starting complex A into the product B first, and then to evolution of B into product C.

Original languageEnglish (US)
Pages (from-to)75-79
Number of pages5
JournalJournal of Molecular Catalysis A: Chemical
Volume324
Issue number1-2
DOIs
StatePublished - Mar 19 2010

Keywords

  • Computational catalysis
  • Homogeneous catalysis
  • Olefin metathesis
  • Reaction mechanisms

ASJC Scopus subject areas

  • Catalysis
  • Process Chemistry and Technology
  • Physical and Theoretical Chemistry

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