Effect of the Nucleophile’s Nature on Chloroacetanilide Herbicides Cleavage Reaction Mechanism. A DFT Study

Effect of the Nucleophile’s Nature on Chloroacetanilide Herbicides Cleavage Reaction Mechanism. A DFT Study

In this study, the degradation mechanism of chloroacetanilide herbicides in the presence of four different nucleophiles, namely: Br<sup>−</sup>, I<sup>−</sup>, HS<sup>−</sup>, and S<sub>2</sub>O<sub>3</sub><sup>−2</sup>, was the...

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Bibliographic Details
Main Authors: Sebastián A. Cuesta, F. Javier Torres, Luis Rincón, José Luis Paz, Edgar A. Márquez, José R. Mora
Format: Article
Language:English
Published: MDPI AG 2021-06-01
Series:International Journal of Molecular Sciences
Subjects:
chloroacetanilide herbicides
nucleophilic substitution
reaction force
electronic flux
DFT calculations
Online Access:https://www.mdpi.com/1422-0067/22/13/6876

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https://www.mdpi.com/1422-0067/22/13/6876

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