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Theoretical Investigation into the Mechanism of Reductive Elimination from Bimetallic Palladium Complexes

Ariafard, Alireza; Hyland, Cristopher J. T.; Canty, Allan; Sharma, Manab; Yates, Brian F


Reductive elimination of C-Cl and C-C bonds from binuclear organopalladium complexes containing Pd-Pd bonds with overall formal oxidation state +III are explored by density functional theory for dichloromethane and acetonitrile solvent environments. An X-ray crystallographically authenticated neutral complex, [(L-C,N)ClPd(μ-O2CMe)]2 (L = benzo[h]quinolinyl) (I), is examined for C-Cl coupling, and the proposed cation, [(L-C,N)PhPd1(μ-O2CMe)2Pd2(L-C,N)]+ (II), examined for C-C coupling together...[Show more]

CollectionsANU Research Publications
Date published: 2011
Type: Journal article
Source: Inorganic Chemistry
DOI: 10.1021/ic102323s


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