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Insights into the Decomposition of Olefin Metathesis Precatalysts
Author(s) -
Manzini Simone,
Poater Albert,
Nelson David J.,
Cavallo Luigi,
Slawin Alexandra M. Z.,
Nolan Steven P.
Publication year - 2014
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201403770
Subject(s) - decomposition , chemistry , olefin metathesis , isopropyl alcohol , yield (engineering) , metathesis , olefin fiber , isopropyl , density functional theory , alcohol , catalysis , organic chemistry , medicinal chemistry , computational chemistry , polymerization , polymer , materials science , metallurgy
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)(H 2 )(PCy 3 ) 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.