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Theoretical investigation of the formation of five-membered metallacycles by reaction of CO with metallacyclobutenones: differences between Ni and Pt

Macgregor, Stuart A; Wenger, Eric


Reactions of CO with nickel or platinum complexes of cyclic alkynes or arynes form initially metallacyclobutenone species, which undergo further insertion of CO to give five-membered metallacycles. The differences in regioselectivity observed for nickel or platinum have been investigated computationally by DFT methods. Although both metals prefer insertion of the second CO via a five-coordinate mechanism, the formation of the five-membered nickelacycle is under thermodynamic control, leading to...[Show more]

CollectionsANU Research Publications
Date published: 2000
Type: Journal article
Source: Journal of Organometallic Chemistry


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