Theoretical Perspectives on the Gas-Phase Oxidation Mechanism and Kinetics of Carbazole Initiated by OH Radical in the Atmosphere

Theoretical Perspectives on the Gas-Phase Oxidation Mechanism and Kinetics of Carbazole Initiated by OH Radical in the Atmosphere

Carbazole is one of the typical heterocyclic aromatic compounds (NSO-HETs) observed in polluted urban atmosphere, which has become a serious environmental concern. The most important atmospheric loss process of carbazole is the reaction with OH radical. The present work investigated the mechanism of...

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Bibliographic Details
Main Authors: Zhuochao Teng, Xiaotong Wang, Mohammad Hassan Hadizadeh, Yanan Han, Xianwei Zhao, Qi Zhang, Hetong Wang, Ying Li, Fei Xu, Yanhui Sun
Format: Article
Language:English
Published: MDPI AG 2022-07-01
Series:Atmosphere
Subjects:
carbazole
OH radical
rate constants
oxidation mechanism
density functional theory (DFT)
Online Access:https://www.mdpi.com/2073-4433/13/7/1129

Internet

https://www.mdpi.com/2073-4433/13/7/1129

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