Insights into the decomposition of olefin metathesis precatalysts

Simone Manzini, Albert Poater, David J Nelson, Luigi Cavallo, Alexandra M Z Slawin, Steven P Nolan

Research output: Contribution to journalArticle

46 Citations (Scopus)

Abstract

The decomposition of a series of benzylidene, methylidene, and 3-phenylindenylidene complexes has been probed in alcohol solution in the presence of base. Tricyclohexylphosphane-containing precatalysts are shown to yield [RuCl(H)(H2 )(PCy3 )2 ] in isopropyl alcohol solutions, while 3-phenylindenylidene complexes lead to η(5) -(3-phenyl)indenyl products. The potential-energy surfaces for the formation of the latter species have been probed using density functional theory studies.

Original languageEnglish
Number of pages6
JournalAngewandte Chemie International Edition
Early online date2 Jun 2014
DOIs
Publication statusPublished - 2 Jun 2014
Externally publishedYes

Keywords

  • density functional calculations
  • hydride ligands
  • metathesis
  • reaction mechanisms
  • ruthenium

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