File(s) under permanent embargo
Theoretical study of the mechanism of CO and acetylene migratory insertions into Pt-Cp* bonds
journal contribution
posted on 2023-05-18, 05:41 authored by Alireza AriafardAlireza Ariafard, Ghari, H, Bagi, AH, Allan CantyAllan Canty, Brian YatesBrian YatesDensity functional theory computation for the reaction of Cp*Pt(CO)I with PMe3 indicates that insertion of CO into the Pt–Cp* bond of Cp*Pt(CO)(PMe3)I proceeds via interaction of a π orbital of Cp* with a π* orbital of CO. A similar pathway is predicted for an insertion reaction of the acetylene complex Cp*Pt(C2H2)(PMe3)I. The conventional mechanism for CO and acetylene insertions, involving direct insertion into the Pt–C bond, is shown to be inoperative in this system.
History
Publication title
OrganometallicsVolume
33Issue
9Pagination
2384-2387ISSN
0276-7333Department/School
School of Natural SciencesPublisher
Amer Chemical SocPlace of publication
1155 16Th St, Nw, Washington, USA, Dc, 20036Rights statement
Copyright 2014 American Chemical SocietyRepository Status
- Restricted