Insights into the decomposition of olefin metathesis precatalysts

Manzini, Simone and Poater, Albert and Nelson, David J and Cavallo, Luigi and Slawin, Alexandra M Z and Nolan, Steven P (2014) Insights into the decomposition of olefin metathesis precatalysts. Angewandte Chemie International Edition.

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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.