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A new decarbonylation reaction is observed for [(K 2 -acetate)Pd(K 2 -diphosphine)] + complexes. Gas-phase IR experiments identify the product as [CH 3 Pd(OP(Ph 2 )CH 2 PPh 2 )] + . DFT calculations uncovered a plausible mechanism involving O atom abstraction by the diphosphine ligand within the coordination sphere to yield the acetyl complex, [CH 3 COPd(OP(Ph 2 )CH 2 PPh 2 )] + , which then undergoes decarbonylation.

chemical communications

Ligand-induced decarbonylation in diphosphine-ligated palladium acetates [CH3CO2Pd((PR2)2CH2)]+ (R = Me and Ph)