Degradation Mechanism of Benzo[a]pyrene Initiated by the OH Radical and (1)O(2): An Insight from Density Functional Theory Calculations

[Image: see text] The degradation mechanism of benzo[a]pyrene (BaP) initiated by (•)OH and (1)O(2) in aqueous solution is investigated by density functional theory calculations. The main degradation products are BaP-1,6-quinone, BaP-3,6-quinone, BaP-4,6-quinone, and BaP-6,12-quinone. (•)OH and HO(2)...

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Detalles Bibliográficos
Autores principales: Chen, Xue-Mei, Chu, Yun-Jie, Liu, Chun-Guang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7557245/
https://www.ncbi.nlm.nih.gov/pubmed/33073081
http://dx.doi.org/10.1021/acsomega.0c01448

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7557245/
https://www.ncbi.nlm.nih.gov/pubmed/33073081
http://dx.doi.org/10.1021/acsomega.0c01448

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