Optical property variations from a precursor (isoprene) to its atmospheric oxidation products

doi:10.1016/j.atmosenv.2018.09.017

IEECAS OpenIR > 黄土与第四纪地质国家重点实验室（2010~）

	Optical property variations from a precursor (isoprene) to its atmospheric oxidation products
	Zeng, YL (Zeng, Yaling)[ 1,2 ]; Shen, ZX (Shen, Zhenxing)[ 1,2 ]; Zhang, T (Zhang, Tian)[ 1 ]; Lu, D (Lu, Di)[ 1 ]; Li, GH (Li, Guohui)[ 2 ]; Lei, YL (Lei, Yali)[ 1 ]; Feng, T (Feng, Tian)[ 2 ]; Wang, X (Wang, Xin)[ 3 ]; Huang, Y (Huang, Yu)[ 2 ]; Zhang, Q (Zhang, Qian)[ 1 ]; Xu, HM (Xu, Hongmei)[ 1 ]; Wang, QY (Wang, Qiyuan)[ 2 ]; Cao, JJ (Cao, Junji)[ 2 ]
	2018-11
发表期刊	ATMOSPHERIC ENVIRONMENT
卷号	193 页码:198-204
文章类型	期刊论文
摘要	Isoprene is a crucial precursor of secondary organic aerosols (SOAs) that reacts with radicals or oxidants such as OH, O3, and NO3. The reaction mechanisms under various conditions have been elucidated through years of research. In this study, the UV–vis light absorptive ability of oxydates for isoprene was calculated at the PBE1PBE/6-311g (d) level using Gaussian 09. The results indicated that reactions of isoprene with OH and O3 would produce less absorptive organics; the intensity of the absorption peaks and the maximum absorption wavelength decreased relative to those of the precursor. The oxydates formed from isoprene through an NO3-initiated reaction had different light absorption properties. The optical properties of the oxydates exhibited a bathochromic shift and hyperchromic effect relative to those of the precursor. NO3 mainly originated from vehicular traffic, indicating that anthropogenic activity heavily affected the formation of oxydates and light absorption. The light absorption properties and irradiation effect of SOAs caused by isoprene heavily depended on the reaction route. Transformation of functional groups was the dominated factor in photobleaching and photoenhancement of oxidative products. This study provides a detailed mechanism that explains the changes in optical absorption properties during isoprene oxidation.
关键词	Isoprene Hydroxyl radical Ozone NO3 Optical property Quantum chemistry calculation
DOI	10.1016/j.atmosenv.2018.09.017
收录类别	SCI
语种	英语
引用统计	被引频次：6[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.ieecas.cn/handle/361006/9670
专题	黄土与第四纪地质国家重点实验室（2010~）
作者单位	1.Department of Environmental Sciences and Engineering, Xi'an Jiaotong University, Xi'an, 710049, China; 2.Key Lab of Aerosol Chemistry & Physics, SKLLQG, Institute of Earth Environment, Chinese Academy of Sciences, China; 3.Multiphase Chemistry Department, Max Planck Institute for Chemistry, Mainz, 55128, Germany
推荐引用方式 GB/T 7714	Zeng, YL ,Shen, ZX ,Zhang, T ,et al. Optical property variations from a precursor (isoprene) to its atmospheric oxidation products[J]. ATMOSPHERIC ENVIRONMENT,2018,193:198-204.
APA	Zeng, YL .,Shen, ZX .,Zhang, T .,Lu, D .,Li, GH .,...&Cao, JJ .(2018).Optical property variations from a precursor (isoprene) to its atmospheric oxidation products.ATMOSPHERIC ENVIRONMENT,193,198-204.
MLA	Zeng, YL ,et al."Optical property variations from a precursor (isoprene) to its atmospheric oxidation products".ATMOSPHERIC ENVIRONMENT 193(2018):198-204.