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 Full article

Journal

Kinetics and Catalysis
ISSN: 1608-3210 , E-ISSN: 0023-1584

Output data

Year: 2010, Volume: 51, Number: 4, Pages: 542-547 Pages count : 6 DOI: 10.1134/s0023158410040130

Authors

Lapidus A.L. ¹ , Eliseev O.L. ¹ , Kondrat’ev L.T. ² , Zvyagintsev N.V. ²

Affiliations

1	Zelinskii Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, 119991, Russia
2	Russian State University of Tourism and Service, Cherkizovo, Moscow oblast, 141221, Russia

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.

Lapidus A.L. , Eliseev O.L. , Kondrat’ev L.T. , Zvyagintsev N.V.
Simulation of the mechanism of styrene carbonylation in the presence of palladium(II) complexes
Kinetics and Catalysis. 2010. V.51. N4. P.542-547. DOI: 10.1134/s0023158410040130 WOS Scopus OpenAlex

≡ Web of science:	WOS:000281105000013
≡ Scopus:	2-s2.0-77956322428
≡ OpenAlex:	W2021393275