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