Articles | Volume 22, issue 17
https://doi.org/10.5194/acp-22-11543-2022
https://doi.org/10.5194/acp-22-11543-2022
Research article
 | 
07 Sep 2022
Research article |  | 07 Sep 2022

Atmospheric oxidation mechanism and kinetics of indole initiated by OH and Cl: a computational study

Jingwen Xue, Fangfang Ma, Jonas Elm, Jingwen Chen, and Hong-Bin Xie

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Latest update: 29 Feb 2024
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Short summary
·OH/·Cl initiated indole reactions mainly form organonitrates, alkoxy radicals and hydroperoxide products, showing a varying mechanism from previously reported amines reactions. This study reveals carcinogenic nitrosamines cannot be formed in indole oxidation reactions despite radicals formed from -NH- H abstraction. The results are important to understand the atmospheric impact of indole oxidation and extend current understanding on the atmospheric chemistry of organic nitrogen compounds.
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