Direct observation of the particle-phase bicyclic products from OH-initiated oxidation of 1,3,5-trimethylbenzene under NOx-free conditions

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, Xiaoxiao 1; Tang, Xiaofeng 1; Wen, Zuoying 1; Long, Bo 2; Fittschen, Christa 3; Gu, Xuejun 1; Gai, Yanbo 1; Zhang, Weijun 1
刊名	ATMOSPHERIC ENVIRONMENT
	2022-02-15
卷号	271
关键词	1,3,5-Trimethylbenzene The bicyclic peroxy radical Secondary organic aerosol Vacuum ultraviolet photoionization Aerosol mass spectrometry
ISSN号	1352-2310
DOI	10.1016/j.atmosenv.2021.118914
通讯作者	Tang, Xiaofeng(tangxf@aiofm.ac.cn) ; Long, Bo(wwwltcommon@sina.com) ; Zhang, Weijun(wjzhang@aiofm.ac.cn)
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 O-2-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 O-2-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 O-2-bridged bicyclic compounds in the particle formation from the OH initiated oxidation of 1,3,5-TMB.
资助项目	National Natural Science Foundation of China[42075113] ; National Natural Science Foundation of China[91961123] ; National Natural Science Foundation of China[21773249] ; National Natural Science Foundation of China[42120104007] ; National Natural Science Foundation of China[21876177] ; International Partnership Program of Chinese Academy of Sciences[116134KYSB20170048] ; Key Program of Research and Development of Hefei Science Center, CAS[2020HSCKPRD001] ; Science and Technology Foundation of Guizhou Province[[2019]5648] ; Science and Technology Foundation of Guizhou Provincial Department of Education[[2021]014] ; CAS President's International Fellowship Initiative[2018VMA0055]
WOS关键词	SECONDARY ORGANIC AEROSOL ; CHEMICAL MECHANISM ; CH3O2 RADICALS ; AIR-QUALITY ; KINETICS ; MEXICO
WOS研究方向	Environmental Sciences & Ecology ; Meteorology & Atmospheric Sciences
语种	英语
出版者	PERGAMON-ELSEVIER SCIENCE LTD
WOS记录号	WOS:000791993800006
资助机构	National Natural Science Foundation of China ; International Partnership Program of Chinese Academy of Sciences ; Key Program of Research and Development of Hefei Science Center, CAS ; Science and Technology Foundation of Guizhou Province ; Science and Technology Foundation of Guizhou Provincial Department of Education ; CAS President's International Fellowship Initiative
内容类型	期刊论文
源URL	[http://ir.hfcas.ac.cn:8080/handle/334002/130857]
专题	中国科学院合肥物质科学研究院
通讯作者	Tang, Xiaofeng; Long, Bo; Zhang, Weijun
作者单位	1.Chinese Acad Sci, Anhui Inst Opt & Fine Mech, Lab Atmospher Phys Chem, HFIPS, Hefei 230031, Anhui, Peoples R China 2.Guizhou Minzu Univ, Sch Mat Sci & Engn, Guiyang 550025, Guizhou, Peoples R China 3.Univ Lille, CNRS, UMR 8522, PC2A Physicochim Proc Combust & Atmosphere, F-59000 Lille, France
推荐引用方式 GB/T 7714	Lin, Xiaoxiao,Tang, Xiaofeng,Wen, Zuoying,et al. Direct observation of the particle-phase bicyclic products from OH-initiated oxidation of 1,3,5-trimethylbenzene under NOx-free conditions[J]. ATMOSPHERIC ENVIRONMENT,2022,271.
APA	Lin, Xiaoxiao.,Tang, Xiaofeng.,Wen, Zuoying.,Long, Bo.,Fittschen, Christa.,...&Zhang, Weijun.(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, Xiaoxiao,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).