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- W1998754780 abstract "The insertion mechanism of imine into the Pd−methyl and Pd−acyl bonds with a phosphane or a nitrogen-based ligand coordinated to the Pd atom has been studied with density functional theory. In agreement with the experimental findings, σ coordination of the imine is preferred. Imine insertion into the Pd−methyl bond presents high energy barriers (>40 kcal mol-1) independently of the Pd-ligand used. On the contrary, insertion into the Pd−acyl bond is more facile, with energy barriers close to 20 kcal mol-1. A geometrical and energetic analysis of the transition states suggests that the formation of the very strong amide linkage constitutes the added driving force for the imine insertion into the Pd−acyl bond." @default.
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- W1998754780 date "1999-04-14" @default.
- W1998754780 modified "2023-10-17" @default.
- W1998754780 title "Insertion of Imine into Palladium−Methyl and Palladium−Acyl Bonds. A Density Functional Study" @default.
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- W1998754780 doi "https://doi.org/10.1021/ja9840706" @default.
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