Kinetic and mechanism studies of the ozonolysis of three unsaturated ketones

作     者：Weiran Li Meifang Chen Yi Chen Shengrui Tong Maofa Ge Yucong Guo Yunhong Zhang Weiran Li;Meifang Chen;Yi Chen;Shengrui Tong;Maofa Ge;Yucong Guo;Yunhong Zhang

作者机构：State Key Laboratory for Structural Chemistry of Unstable and Stable SpeciesInstitute of ChemistryChinese Academy of SciencesBeijing 100190China University of Chinese Academy of SciencesBeijing 100049China College of Chemistry and Material ScienceThe key Laboratory of Functional Molecular SolidsMinistry of EducationAnhui Laboratory of Molecule-Based MaterialsAnhui Normal UniversityWuhu 241000China CAS Research/Education Center for Excellence in Molecular SciencesBeijing 100190China Institute of Chemical PhysicsSchool of Chemistry and Chemical EngineeringBeijing Institute of TechnologyBeijing 100081China 

出 版 物：《Journal of Environmental Sciences》 (环境科学学报（英文版）)

年 卷 期：2020年第32卷第9期

页      面：23-32页

核心收录：

学科分类：07[理学] 070602[理学-大气物理学与大气环境] 0706[理学-大气科学] 

基　　金：supported by the National Key Research and Development Program of China(No.2016YFC0202200) the National Natural Science Foundation of China(Nos.41571130022 and 91544227) Beijing Nova Program(No.2018113) the Youth Innovation Promotion Association Chinese Academy of Sciences(CAS)(No.2017042) 

主　　题：unsaturated ozone mechanism 

摘      要：Reaction rate constants and products of 1-octen-3-one,3-octen-2-one and 4-hexen-3-one with ozone were studied in a 100-L fluorinated ethylene propylene(FEP) Teflon film bag using absolute rate method at 298 ± 1 K and atmospheric *** rate constants were(1.09 ± 0.12) × 10-17,(3.48 ± 0.36) × 10-17 and(5.70±0.60) × 10-17 cm3/(molecule·sec),*** to the obtained rate constants,the effects of carbonyl were *** carbonyl group in β position has a net withdrawing effect with respect to an olefinic bond,then causing the decline of rate *** quantum chemical calculation was used to explain the results of rate *** products of ozonolysis were mainly aldehydes,which have significant influence on the formation of SOA,and hence play an important role in the *** this work,we detected the main products of reaction and proposed the reaction mechanism by combining the results of quantum chemical *** lifetime for three unsaturated ketones reacted with ozone was 36.4,11.4 and 6.9 hr for 1-octen-3-one,3-octen-2-one and 4-hexen-3-one,respectively.