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Fluopyram is one of the widely used fungicides and it is persistence in water and soil. In this study, the photocatalytic degradation of fluopyram by TiO2 was investigated under simulated solar light irradiation. Six transformation products (TPs) were identified by means of high performance liquid chromatography coupled with tandem mass spectrometry (HPLCMS/MS) and the quantum chemistry calculations (DFT and AIMD method). The formation of these TPs involved the hydroxyl-substitution of Cl atom, intramolecular cyclization, cleavage of amido bond, loss of trifluorotoluene, and attack of hydroxyl group on benzene ring. And then, a tentative pathway of the photocatalytic degradation was proposed. The toxicity of fluopyram and its TPs were predicted using in silico test. The results showed that potentially more toxic intermediates formed during photocatalytic degradation. These data suggested that more information about TPs of fluopyram and their toxicity should be obtained.

Mechanism and identify photolysis products of fluopyram under TiO2: Experiments, DFT and ab initio Molecular dynamics study