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Theoretical studies on the insertions of unsymmetrical alkynes into the metal�carbon bond of phosphanickelacycles: electronic factors.

Macgregor, Stuart A; Wenger, Eric


Density functional calculations have been employed to study the insertion reactions of alkynes (RC≡CR′: R = H, R′ = H, Me, CF3, Ph; R = Me, R′ = Ph; R = CO2H, R′ = H, Me, CF3, Ph) with the model phosphanickelacycle [NiBr(CH=CHCH2PH2-kC,P)(PH3)].

CollectionsANU Research Publications
Date published: 2002
Type: Journal article
Source: Organometallics
DOI: 10.1021/om010795y


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