Profoxydim in Focus: A Structural Examination of Herbicide Behavior in Gas and Aqueous Phases.

ABSTRACT: This study investigates the chemical structure of profoxydim, focusing on its E-isomer, the main commercial form. The research aimed to determine the predominant tautomeric forms under various environmental conditions. Using proton and carbon-13 NMR spectroscopy alongside theoretical modeling, we examined tautomers and their conformers in different solvents (MeOD, DMSO, CDCl₃, benzene) to mimic gas and aqueous phases. The findings reveal that the enolic form dominates in the gas phase, while the ketonic form prevails in aqueous environments, providing key insights into the herbicide's environmental behavior. We also observed an isomeric transition from E to Z under acidic conditions, which could affect profoxydim's reactivity in natural environments. The theoretical calculations

SUBMITTER: Cobos-Escudero M 

PROVIDER: S-EPMC11433996 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature