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

Authors :: Lesslie, Michael
Yang, Yang
Canty, Allan J.
Piacentino, Elettra
Berthias, Francis
Maitre, Philippe
Ryzhov, Victor
O'Hair, Richard A. J.
Source :: Chemical Communications; 1/14/2018, Vol. 54 Issue 4, p346-349, 4p
Publication Year :: 2018
Abstract: A new decarbonylation reaction is observed for [(K<superscript>2</superscript>-acetate)Pd(K<superscript>2</superscript>-diphosphine)]<superscript>+</superscript> complexes. Gas-phase IR experiments identify the product as [CH<subscript>3</subscript>Pd(OP(Ph<subscript>2</subscript>)CH<subscript>2</subscript>PPh<subscript>2</subscript>)]<superscript>+</superscript>. DFT calculations uncovered a plausible mechanism involving O atom abstraction by the diphosphine ligand within the coordination sphere to yield the acetyl complex, [CH<subscript>3</subscript>COPd(OP(Ph<subscript>2</subscript>)CH<subscript>2</subscript>PPh<subscript>2</subscript>)]<superscript>+</superscript>, which then undergoes decarbonylation. [ABSTRACT FROM AUTHOR]

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