title: Insights into the decomposition of olefin metathesis precatalysts.
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.
authors.affiliation: EaStCHEM School of Chemistry, University of St Andrews, North Haugh, St Andrews, Fife, KY16 9ST (UK).
authors.forename: Simone
authors.initials: S
authors.lastname: Manzini
authors.forename: Albert
authors.initials: A
authors.lastname: Poater
authors.forename: David J
authors.initials: DJ
authors.lastname: Nelson
authors.forename: Luigi
authors.initials: L
authors.lastname: Cavallo
authors.forename: Alexandra M Z
authors.initials: AM
authors.lastname: Slawin
authors.forename: Steven P
authors.initials: SP
authors.lastname: Nolan
keywords: density functional calculations; hydride ligands; metathesis; reaction mechanisms; ruthenium