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Theoretical study of the mechanism of CO and acetylene migratory insertions into Pt-Cp* bonds

Citation

Ariafard, A and Ghari, H and Bagi, AH and Canty, AJ and Yates, BF, Theoretical study of the mechanism of CO and acetylene migratory insertions into Pt-Cp* bonds, Organometallics, 33, (9) pp. 2384-2387. ISSN 0276-7333 (2014) [Refereed Article]

Copyright Statement

Copyright 2014 American Chemical Society

DOI: doi:10.1021/om500273x

Abstract

Density functional theory computation for the reaction of Cp*Pt(CO)I with PMe3 indicates that insertion of CO into the PtCp* 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 PtC bond, is shown to be inoperative in this system.

Item Details

Item Type:Refereed Article
Keywords:organoplatinum, insertion, cyclopentadienyl, computational
Research Division:Chemical Sciences
Research Group:Other Chemical Sciences
Research Field:Organometallic Chemistry
Objective Division:Expanding Knowledge
Objective Group:Expanding Knowledge
Objective Field:Expanding Knowledge in the Chemical Sciences
Author:Ariafard, A (Associate Professor Alireza Ariafard)
Author:Canty, AJ (Professor Allan Canty)
Author:Yates, BF (Professor Brian Yates)
ID Code:97178
Year Published:2014
Web of Science® Times Cited:2
Deposited By:Chemistry
Deposited On:2014-12-05
Last Modified:2015-04-28
Downloads:0

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