Abstract
The mechanism of styrene carbonylation in the presence of a palladium(II) complex has been investigated by quantum chemical methods. The migratory insertion of styrene into the palladium-hydrogen bond of hydride π-complexes is considered in detail. This process determines the regioselectivity of the reaction.
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Original Russian Text © A.L. Lapidus, O.L. Eliseev, L.T. Kondrat’ev, N.V. Zvyagintsev, 2010, published in Kinetika i Kataliz, 2010, Vol. 51, No. 4, pp. 566–571.
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Lapidus, A.L., Eliseev, O.L., Kondrat’ev, L.T. et al. Simulation of the mechanism of styrene carbonylation in the presence of palladium(II) complexes. Kinet Catal 51, 542–547 (2010). https://doi.org/10.1134/S0023158410040130
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DOI: https://doi.org/10.1134/S0023158410040130