Articles | Volume 22, issue 17
https://doi.org/10.5194/acp-22-11543-2022
© Author(s) 2022. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/acp-22-11543-2022
© Author(s) 2022. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
07 Sep 2022
Research article |
| 07 Sep 2022
| 07 Sep 2022
Atmospheric oxidation mechanism and kinetics of indole initiated by ●OH and ●Cl: a computational study
Jingwen Xue
Key Laboratory of Industrial Ecology and Environmental Engineering
(Ministry of Education), School of Environmental Science and Technology,
Dalian University of Technology, Dalian 116024, China
Fangfang Ma
CORRESPONDING AUTHOR
Key Laboratory of Industrial Ecology and Environmental Engineering
(Ministry of Education), School of Environmental Science and Technology,
Dalian University of Technology, Dalian 116024, China
Jonas Elm
Department of Chemistry and iClimate, Aarhus University,
Langelandsgade 140, 8000 Aarhus C, Denmark
Jingwen Chen
Key Laboratory of Industrial Ecology and Environmental Engineering
(Ministry of Education), School of Environmental Science and Technology,
Dalian University of Technology, Dalian 116024, China
Hong-Bin Xie
CORRESPONDING AUTHOR
Key Laboratory of Industrial Ecology and Environmental Engineering
(Ministry of Education), School of Environmental Science and Technology,
Dalian University of Technology, Dalian 116024, China
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25 citations as recorded by crossref.
- Multi-generation oxidation mechanism of M-xylene: Unexpected implications for secondary organic aerosol formation R. Lu et al. https://doi.org/10.1016/j.atmosenv.2024.120511
- Chlorine radical-initiated atmospheric oxidation of imines: implications for structural influence on the nitrosamine formation Q. Xu et al. https://doi.org/10.5194/acp-26-3211-2026
- The Degradation of Aqueous Oxytetracycline by an O3/CaO2 System in the Presence of HCO3−: Performance, Mechanism, Degradation Pathways, and Toxicity Evaluation Z. Li et al. https://doi.org/10.3390/molecules29030659
- Insights into the role of the H-abstraction reaction kinetics of amines in understanding their degeneration fates under atmospheric and combustion conditions Y. Shang & S. Luo https://doi.org/10.1039/D4CP02187H
- Electrical breakdown in liquid-phase processing on an enhancement of 7-hydroxymitragynine conversion from mitragynine in Mitragyna speciosa (Kratom) W. Samee et al. https://doi.org/10.1016/j.heliyon.2024.e36676
- Contrasting organic aerosol molecular composition between the urban and agricultural environment of the Po Valley L. D'Angelo et al. https://doi.org/10.5194/acp-26-6799-2026
- Ecosystem-scale biogenic volatile organic compound fluxes over rapeseed by eddy-covariance P. Buysse et al. https://doi.org/10.5194/acp-26-12131-2026
- The driving effects of common atmospheric molecules for formation of clusters: the case of sulfuric acid, nitric acid, hydrochloric acid, ammonia, and dimethylamine O. Longsworth et al. https://doi.org/10.1039/D3EA00118K
- Atmospheric Oxidation Mechanism of Benzimidazole initiated by Hydroxyl Radicals (•OH): Nitrosamine Formation from •OH-Addition Pathways A. Jahanzab et al. https://doi.org/10.1021/acs.est.6c00804
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- Radical and non-radical pathways of organic arsenic removal in the heterogeneous peroxymonosulfate (PMS) activation system: A DFT study Q. Gu et al. https://doi.org/10.1016/j.jclepro.2025.146611
- Photooxidation Reactions of Allyl Methyl Sulfide Initiated by OH Radicals and Cl Atoms in the Troposphere G. Madhu & B. Rajakumar https://doi.org/10.1021/acs.jpca.5c08023
- Mechanistic insights into chloroacetic acid production from atmospheric multiphase volatile organic compound–chlorine chemistry M. Li et al. https://doi.org/10.5194/acp-25-3753-2025
- A new advance in the pollution profile, transformation process, and contribution to aerosol formation and aging of atmospheric amines X. Shen et al. https://doi.org/10.1039/D2EA00167E
- Secondary organic aerosols from oxidation of 1-methylnaphthalene: Yield, composition, and volatility W. Xiang et al. https://doi.org/10.1016/j.scitotenv.2024.170379
- Molecular analysis of secondary organic aerosol and brown carbon from the oxidation of indole F. Jiang et al. https://doi.org/10.5194/acp-24-2639-2024
- Theoretical study on the atmospheric degradation mechanism of p-nitrophenol initiated by OH radicals and its contribution to SOA formation L. Saiyu et al. https://doi.org/10.1016/j.jece.2026.125074
- Electrocatalytic kinetics and mechanistic insights into indole oxidation reaction on highly oriented pyrolytic graphite electrodes M. Rojas et al. https://doi.org/10.1007/s10008-025-06339-5
- The Reactions of Isobutyl Acetate and 2-Methyl Allyl Acetate with Cl Atoms: Kinetics, Mechanism, and Atmospheric Fate G. Madhu & B. Rajakumar https://doi.org/10.1021/acs.jpca.5c08056
- Formation of secondary organic aerosols from Cl-initiated oxidation of anisole: Rapid release of ultrafine particles and organic chlorides F. Pan et al. https://doi.org/10.1016/j.atmosenv.2024.120544
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- Photochemical Aging of Indole SOA: Implications for Volatility and Optical Properties T. Ajith et al. https://doi.org/10.1021/acs.est.5c10237
- Atmospheric Oxidation Mechanism of 2-Hydroxy-benzothiazole Initiated by Hydroxyl Radicals A. Jahanzab et al. https://doi.org/10.1021/acsearthspacechem.4c00230
- Characteristics of aerosol aminiums over a coastal city in North China: Insights from the divergent impacts of marine and terrestrial influences Y. Yang et al. https://doi.org/10.1016/j.scitotenv.2024.170672
- The atmospheric fate of ethyl and neopentyl nitrates: ·OH-oxidation mechanism, kinetic property, and environmental impacts X. Liu et al. https://doi.org/10.1016/j.envint.2025.109413
Saved (final revised paper)
Latest update: 18 Sep 2026
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.
·OH/·Cl initiated indole reactions mainly form organonitrates, alkoxy radicals and...
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