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

HFCAS OpenIR

	Direct observation of the particle-phase bicyclic products from OH-initiated oxidation of 1,3,5-trimethylbenzene under NOx-free conditions
	Lin, Xiaoxiao1 ; Tang, Xiaofeng 1; Wen, Zuoying1 ; Long, Bo2 ; Fittschen, Christa 3; Gu, Xuejun1 ; Gai, Yanbo1 ; Zhang, Weijun1
	2022-02-15
发表期刊	ATMOSPHERIC ENVIRONMENT
ISSN	1352-2310
通讯作者	Tang, Xiaofeng(tangxf@aiofm.ac.cn) ; Long, Bo(wwwltcommon@sina.com) ; Zhang, Weijun(wjzhang@aiofm.ac.cn)
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.
关键词	1,3,5-Trimethylbenzene The bicyclic peroxy radical Secondary organic aerosol Vacuum ultraviolet photoionization Aerosol mass spectrometry
DOI	10.1016/j.atmosenv.2021.118914
关键词[WOS]	SECONDARY ORGANIC AEROSOL ; CHEMICAL MECHANISM ; CH3O2 RADICALS ; AIR-QUALITY ; KINETICS ; MEXICO
收录类别	SCI
语种	英语
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]
项目资助者	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
WOS研究方向	Environmental Sciences & Ecology ; Meteorology & Atmospheric Sciences
WOS类目	Environmental Sciences ; Meteorology & Atmospheric Sciences
WOS记录号	WOS:000791993800006
出版者	PERGAMON-ELSEVIER SCIENCE LTD
引用统计	被引频次：4[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.hfcas.ac.cn:8080/handle/334002/130858
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
第一作者单位	中科院安徽光学精密机械研究所
通讯作者单位	中科院安徽光学精密机械研究所
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).