EaStCHEM School of Chemistry, University of St Andrews, North Haugh, St Andrews, Fife, KY16 9ST (UK).
Angew Chem Int Ed Engl. 2014 Aug 18;53(34):8995-9. doi: 10.1002/anie.201403770. Epub 2014 Jun 2.
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.
一系列亚苄基、次甲基和 3-苯基茚满亚基配合物在醇溶液中存在碱的条件下进行了分解研究。研究表明,含三环己基膦的前催化剂在异丙醇溶液中生成[RuCl(H)(H2)(PCy3)2],而 3-苯基茚满亚基配合物则生成η(5)-(3-苯基)茚满产物。使用密度泛函理论研究对后一种物种的形成进行了势能面探测。