Original paper
Mechanism of Cobalamin-Mediated Reductive Dehalogenation of Chloroethylenes
Abstract
Reductive dehalogenation involving cobalamin has been proved to be a promising strategy for decontamination of the polluted environment. However, cob(I)alamin can act both as a strong reductant and a powerful nucleophile, and thus, several competing dehalogenation pathways may be involved. This work uses experimentally calibrated density functional theory on a realistic cobalamin model to resolve controversies of cobalamin-mediated reduction of...
Paper Details
Title
Mechanism of Cobalamin-Mediated Reductive Dehalogenation of Chloroethylenes
Published Date
Jun 26, 2017
Journal
Volume
7
Issue
8
Pages
5294 - 5307