Simulation of the mechanism of styrene carbonylation in the presence of palladium(II) complexes

Simulation of the mechanism of styrene carbonylation in the presence of palladium(II) complexes

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...

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Veröffentlicht in:Kinetics and catalysis 2010-08, Vol.51 (4), p.542-547
Hauptverfasser: Lapidus, A. L., Eliseev, O. L., Kondrat’ev, L. T., Zvyagintsev, N. V.
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creator Lapidus, A. L.
Eliseev, O. L.
Kondrat’ev, L. T.
Zvyagintsev, N. V.
description 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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Chemistry
Chemistry and Materials Science
Physical Chemistry
title Simulation of the mechanism of styrene carbonylation in the presence of palladium(II) complexes
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