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Simulation des dégradations environnementales de quelques pesticides électroactifs par couplage électrochimie - spectrométrie de masse haute résolution - calculs théoriques DFT

Abstract : The simulation/prediction of the environmental degradations of xenobiotics is an important field of research which allows to better understand the potential risks that represent organic contaminants in environmental systems. The main objective of this work is the implementation of hybrid couplings, associating an electrochemical device (EC) with analytical tools that are liquid chromatography (LC) and mass spectrometry MS [(EC-LC-MS and EC-MS couplings)] for simulation of the environmental degradation of selected electroactive pesticides. The oxidative degradation of this fungicide was studied using an electrochemical flow-through cell directly coupled to a mass spectrometer for rapid identification of their degradation products. Firstly, the elucidation of the electrochemical behavior of diuron (phenylurea herbicide) was possible through the identification of its oxidation products using EC-LCMS and EC-MS couplings. Secondly, the mimicry by electrochemistry of the environmental degradation of seven other herbicides (fenuron, monuron, isoproturon, chlortoluron, metoxuron, monolinuron, linuron) was implemented. The third part focused on the study of the electrochemical behavior/degradation of a fungicide of the carbamate family (carbendazim). In addition to the known transformation products for these studied pesticides, two new very unstable degradation products have been identified in this work for the first time, mainly quinones imine and nitrenium ions. All the results obtained during this study were supported by quantum mechanics calculations (DFT).
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http://hal.univ-nantes.fr/tel-03502456
Contributor : Ranil Clement Temgoua Tonleu Connect in order to contact the contributor
Submitted on : Saturday, December 25, 2021 - 3:06:55 PM
Last modification on : Tuesday, January 4, 2022 - 3:03:35 AM

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Ranil Clément Tonleu Temgoua. Simulation des dégradations environnementales de quelques pesticides électroactifs par couplage électrochimie - spectrométrie de masse haute résolution - calculs théoriques DFT. Chimie. Université de Nantes, Faculté des sciences et des techniques; Université de Dschang - Cameroun, 2020. Français. ⟨tel-03502456⟩

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