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A theoretical study of co insertion reactions: an assessment of electron correlation effects

โœ Scribed by A. Dedieu; S. Sakaki; A. Strich; P.E.M. Siegbahn

Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
703 KB
Volume
133
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

MP2 and CAS SCF calculations for CO insertion reactions of the type RMCO-+M(COR), R=H, CHg; M= Mn, Pd+ are reported. Non-dynamical correlation appears to be quite important, involving essentially the metal-carbon x bond in the Mn( I) systems and the metal-carbon and metal-hydrogen o bonds in the Pd( II) systems.

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