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DOI	10.1016/j.atmosenv.2021.118394
	The gas-phase reaction kinetics of different structure of unsaturated alcohols and ketones with O3
	Li W.; Dan G.; Chen M.; Chen Y.; Wang Z.; Zhao Y.; Wang F.; Li F.; Tong S.; Ge M.
发表日期	2021
ISSN	1352-2310
卷号	254
英文摘要	Unsaturated alcohols and ketones are a category of oxygenated biogenic volatile organic compounds, which reacted with tropospheric ozone and then made a significant contribution to the formation of secondary organic aerosols (SOA). However, the chemical pathways of their reaction with O3 are poorly understood. Hence, the reactions of O3 with three unsaturated alcohols and ketones were conducted in 100 L FEP Teflon smog chamber and the rate constants were obtained by using the absolute rate method. The rate constant of 4-methyl-3-penten-2-one, 2-methyl-4-penten-2-ol, 4-penten-2-ol reacting with O3 at 298 K and 760 Torr was (7.68 ± 0.80) × 10−18, (4.27 ± 0.44) × 10−18 and (5.40 ± 0.57) × 10−18 cm3molecule−1s−1, respectively. Combining with theoretical calculation, the factors leading to the different rate constants of a series of similar structure compounds were analyzed, including the steric effect of methyl in specific position and the electron withdrawing effect of hydroxyl group in the gamma position for alcohols and carbonyl group in the beta position for ketones. Moreover, the major products of three unsaturated organics reacted with ozone were detected, and the reaction mechanisms were deduced by further supporting of theoretical calculation. The atmospheric lifetime of the target compounds and the environmental significant were explored. © 2021 Elsevier Ltd
关键词	Atmospheric lifetime Mechanism Ozone Rate constant Unsaturated organics
语种	英语
scopus关键词	Alcohols; Atmospheric chemistry; Ketones; Mechanisms; Ozone; Phase interfaces; Volatile organic compounds; Atmospheric lifetime; Biogenic volatile organic compounds; Different structure; Gas-phase reactions; Organic aerosol; Theoretical calculations; Tropospheric ozone; Unsaturated alcohols; Unsaturated ketones; Unsaturated organic; Rate constants; 4 methyl 3 penten 2 one 2 methyl 4 penten 2 ol 4 penten 2 ol; alcohol derivative; carbonyl derivative; hydroxyl group; hydroxyl radical; ketone derivative; ozone; polytetrafluoroethylene; unclassified drug; unsaturated alcohol; volatile organic compound; alcohol; electron; hydroxyl radical; ketone; ozone; reaction kinetics; smog; volatile organic compound; Article; chemical reaction kinetics; chemical structure; gas; high performance liquid chromatography; kinetic parameters; oxidation; ozonation; priority journal; rate constant; reaction analysis; secondary organic aerosol
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/248453
作者单位	State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Beijing National Laboratory for Molecular Sciences (BNLMS), CAS Research/Education Center for Excellence in Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing, China; University of Chinese Academy of Sciences, Beijing, China; Center for Excellence in Regional Atmospheric Environment, Institute of Urban Environment, Chinese Academy of Sciences, Xiamen, 361021, China; College of Chemistry and Material Science, The Key Laboratory of Functional Molecular Solids, Ministry of Education, Anhui Laboratory of Molecule-Based Materials, Anhui Normal University, Wuhu, China; Beijing National Laboratory for Molecular Sciences, National Centre for Mass Spectrometry in Beijing, CAS Key Laboratory of Analytical Chemistry for Living Biosystems, Institute of Chemistry, Chinese Academy of Sciences, Beijing, China; College of Chemistry, Liaoning University, Shenyang, Liaoning 110036, China
推荐引用方式 GB/T 7714	Li W.,Dan G.,Chen M.,et al. The gas-phase reaction kinetics of different structure of unsaturated alcohols and ketones with O3[J],2021,254.
APA	Li W..,Dan G..,Chen M..,Chen Y..,Wang Z..,...&Ge M..(2021).The gas-phase reaction kinetics of different structure of unsaturated alcohols and ketones with O3.ATMOSPHERIC ENVIRONMENT,254.
MLA	Li W.,et al."The gas-phase reaction kinetics of different structure of unsaturated alcohols and ketones with O3".ATMOSPHERIC ENVIRONMENT 254(2021).