1.Zelinskii Institute of Organic Chemistry,Russian Academy of Sciences,Moscow,Russia;2.Russian State University of Tourism and Service,Moscow,Russia
Abstract:
The influence of a catalyst on regioselectivity of styrene carbonylation in ionic liquids catalyzed by palladium(II) complexes was studied. The mechanism of the migration insertion of styrene at the palladium-hydrogen bond determining the regioselectrivity of the whole reaction, which is treated as electrophilic addition to the multiple bond of styrene, was studied. A study of the structure of intermediate complexes formed at this stage was performed using the B3LYP method of density functional theory.
