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.
Keywords: density functional calculations; hydride ligands; metathesis; reaction mechanisms; ruthenium.
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