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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 Yates
Density 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

Organometallics

Volume

33

Issue

9

Pagination

2384-2387

ISSN

0276-7333

Department/School

School of Natural Sciences

Publisher

Amer Chemical Soc

Place of publication

1155 16Th St, Nw, Washington, USA, Dc, 20036

Rights statement

Copyright 2014 American Chemical Society

Repository Status

  • Restricted

Socio-economic Objectives

Expanding knowledge in the chemical sciences

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