Photodegradation of sulfonylurea molecules: Analytical and theoretical DFT studies

被引:12
作者
Corminboeuf, C
Carnal, F
Weber, J
Chovelon, JM
Chermette, H
机构
[1] Univ Geneva, Dept Chem Phys, CH-1211 Geneva 4, Switzerland
[2] Univ Lyon 1, Lab Applicat Chim Environm, LACE, UMR 5634, F-69622 Villeurbanne, France
[3] Univ Lyon 1, Lab Chim Phys Theor, F-69622 Villeurbanne, France
[4] CNRS, UMR 5182, F-69622 Villeurbanne, France
关键词
D O I
10.1021/jp035776b
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The use and the number of sulfonylurea herbicides have increased since the early 1980s. A good understanding of their degradation is of ecological importance, since environmental pollutants can be issued from them. It is claimed that microbial degradation and chemical hydrolysis present the main degradation pathways but photodegradation cannot be neglected. Time-dependent density functional theory has been used to help in the elucidation of the photochemical behavior of sulfonylureas.
引用
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页码:10032 / 10038
页数:7
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