Theoretical Study of the Mechanism of CO and Acetylene Migratory Insertions into Pt–Cp* Bonds
作者： Alireza Ariafard , Hossein Ghari , Amin Hossein Bagi , Allan J. Canty , Brian F. Yates
DOI: 10.1021/OM500273X
关键词:
摘要: Density functional theory computation for the reaction of Cp*Pt(CO)I with PMe3 indicates that insertion CO into Pt–Cp* bond Cp*Pt(CO)(PMe3)I proceeds via interaction a π orbital Cp* π* CO. A similar pathway is predicted an acetylene complex Cp*Pt(C2H2)(PMe3)I. The conventional mechanism and insertions, involving direct Pt–C bond, shown to be inoperative in this system.
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