Computational study of the dimerization of glyphosate: mechanism and effect of solvent

Author:

Meddeb-Limem Sondes1,Ben Fredj Arij1ORCID

Affiliation:

1. Unité de recherche de Modélisation en Sciences Fondamentales et Didactiques, équipe de Chimie Théorique et Réactivité UR14ES10, Institut Préparatoire aux études d'Ingénieurs d'El Manar, Université de Tunis El Manar, B. P. 244, El Manar II 2092, Tunis, Tunisia

Abstract

The dimerization process of Glyph appears to be exergonic in the gas phase and in solution. The mechanism of dimerization, in water, could be described by a set of equilibria including proton transfer paths between zwitterionic dimer tautomers.

Publisher

Royal Society of Chemistry (RSC)

Reference112 articles.

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2. J. E.Franz , in Discovery, Development and Chemistry of Glyphosate. The Herbicide Glyphosate , ed. E. Grossbard and D. Atkinson , Butterworth and Co., Ltd , Boston, MA, USA , 1985 , pp. 3–17

3. C.Fest and K.-J.Schmidt , The Chemistry of Organo-Phosphorus Pesticides , Springer-Verlag Berlin Heidelberg , New York , 2nd edn, 1982 , ch. 3.3

4. Organophosphorus herbicides and plant growth regulators part 1. Synthesis and protonation behaviour of glyphosate and related compounds

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