A density functional theory investigation of the PPh3-catalyzed formation of amides from benzoic acid was explored. The results confirm the involvement of a phosphonium intermediate that is crucial to activate the carboxylate for nucleophilic acyl substitution.
Computational investigation on the Mechanism of amide bond formation by using phosphine-based redox catalysis
M. E. Alberto;RUSSO, Nino;TOSCANO, Marirosa
2015-01-01
Abstract
A density functional theory investigation of the PPh3-catalyzed formation of amides from benzoic acid was explored. The results confirm the involvement of a phosphonium intermediate that is crucial to activate the carboxylate for nucleophilic acyl substitution.File in questo prodotto:
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