Corminboeuf, ClemenceCarnal, FabriceWeber, JacquesChovelon, Jean-MarcChermette, Henry2007-10-222007-10-222007-10-22200310.1021/jp035776bhttps://infoscience.epfl.ch/handle/20.500.14299/13171The use and the no. of sulfonylurea herbicides have increased since the early 1980s. A good understanding of their degrdn. is of ecol. importance, since environmental pollutants can be issued from them. It is claimed that microbial degrdn. and chem. hydrolysis present the main degrdn. pathways but photodegrdn. cannot be neglected. Time-dependent d. functional theory has been used to help in the elucidation of the photochem. behavior of sulfonylureas. [on SciFinder (R)]Electronic excitation; Environmental pollution; Frontier molecular orbital; HOMO; Herbicides; LUMO; Photolysis (DFT study of photochem. behavior of sulfonylureas); Bond cleavage (carbon-sulfur; DFT study of photochem. behavior of sulfonylureas); Bond cleavage (nitrogen-sulfur; DFT study of photochem. behavior of sulfonylureas); Density functional theory (time-dependent; DFT study of photochem. behavior of sulfonylureas)DFT photochem sulfonylurea environmental pollutionPhotodegradation of Sulfonylurea Molecules: Analytical and Theoretical DFT Studiestext::journal::journal article::research article