气候变化领域集成服务门户(CCPortal): Direct observation of the particle-phase bicyclic products from OH-initiated oxidation of 1,3,5-trimethylbenzene under NOx-free conditions

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DOI	10.1016/j.atmosenv.2021.118914
	Direct observation of the particle-phase bicyclic products from OH-initiated oxidation of 1,3,5-trimethylbenzene under NOx-free conditions
	Lin X.; Tang X.; Wen Z.; Long B.; Fittschen C.; Gu X.; Gai Y.; Zhang W.
发表日期	2022
ISSN	1352-2310
卷号	271
英文摘要	The OH initiated oxidation of 1,3,5-trimethylbenzene (1,3,5-TMB) under NOx-free conditions has been investigated by using a home-made vacuum ultraviolet (VUV) photoionization aerosol mass spectrometer complemented by high-level theoretical computations. The chemical composition of the nascent particles from the oxidation reaction is measured on-line and the high mass O2-bridged bicyclic compounds in the particle phase are directly observed and determined, with the aid of the deuterated 1,3,5-TMB experiments to confirm the species’ assignment. To illuminate the formation of the O2-bridged bicyclic compounds, the potential energy surfaces of the reaction of the bicyclic peroxy radical (BPR) with the hydroperoxy radical (HO2), and of the self-reaction of the BPR radical, have been theoretically calculated and then their reaction mechanisms are discussed in detail. This study provides direct evidence to support the essential role of the O2-bridged bicyclic compounds in the particle formation from the OH initiated oxidation of 1,3,5- TMB. © 2021 Elsevier Ltd
关键词	1,3,5-Trimethylbenzene Aerosol mass spectrometry Secondary organic aerosol The bicyclic peroxy radical Vacuum ultraviolet photoionization
语种	英语
scopus关键词	Aerosols; Mass spectrometry; Nitrogen oxides; Photoionization; Potential energy; Quantum chemistry; Surface reactions; 1,3,5-trimethylbenzene; Aerosol mass spectrometry; Bicyclic compounds; Organic aerosol; Particle phase; Secondary organic aerosol; The bicyclic peroxy radical; Trimethylbenzene; Vacuum ultraviolet photoionization; Oxidation; 1,3,5 trimethylbenzene; hydroperoxy radical; hydroxide; hydroxyl radical; oxygen; peroxy radical; unclassified drug; benzene; hydroxyl radical; nitrogen oxides; observational method; oxidation; Article; chemical composition; chemical structure; oxidation; particle size; photolysis; photooxidation; reaction analysis; secondary organic aerosol; ultraviolet radiation
来源期刊	ATMOSPHERIC ENVIRONMENT
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/248094
作者单位	Laboratory of Atmospheric Physico-Chemistry, Anhui Institute of Optics and Fine Mechanics, HFIPS, Chinese Academy of Sciences, Hefei, Anhui 230031, China; School of Materials Science and Engineering, Guizhou Minzu University, Guiyang, Guizhou 550025, China; University Lille, CNRS, UMR 8522, PC2A – Physicochimie des Processus de Combustion et de l'Atmosphère, Lille, F-59000, France
推荐引用方式 GB/T 7714	Lin X.,Tang X.,Wen Z.,et al. Direct observation of the particle-phase bicyclic products from OH-initiated oxidation of 1,3,5-trimethylbenzene under NOx-free conditions[J],2022,271.
APA	Lin X..,Tang X..,Wen Z..,Long B..,Fittschen C..,...&Zhang W..(2022).Direct observation of the particle-phase bicyclic products from OH-initiated oxidation of 1,3,5-trimethylbenzene under NOx-free conditions.ATMOSPHERIC ENVIRONMENT,271.
MLA	Lin X.,et al."Direct observation of the particle-phase bicyclic products from OH-initiated oxidation of 1,3,5-trimethylbenzene under NOx-free conditions".ATMOSPHERIC ENVIRONMENT 271(2022).