DICP OpenIR
Kinetics of the reaction of the simplest Criegee intermediate with ammonia: a combination of experiment and theory
Liu, Yiqiang1,2; Yin, Cangtao3; Smith, Mica C.3; Liu, Siyue1,2; Chen, Maodu1; Zhou, Xiaohu2,4,5; Xiao, Chunlei2; Dai, Dongxu2; Lin, Jim Jr-Min3,6; Takahashi, Kaito3; Dong, Wenrui2; Yang, Xueming2,7
Corresponding AuthorChen, Maodu(mdchen@dlut.edu.cn) ; Takahashi, Kaito(kt@gate.sinica.edu.tw) ; Dong, Wenrui(wrdong@dicp.ac.cn) ; Yang, Xueming(xmyang@dicp.ac.cn)
Source PublicationPHYSICAL CHEMISTRY CHEMICAL PHYSICS
2018-12-21
ISSN1463-9076
DOI10.1039/c8cp05920a
Volume20Issue:47Pages:29669-29676
Funding ProjectNational Natural Science Foundation of China[91541116] ; National Natural Science Foundation of China[21873098] ; National Natural Science Foundation of China[21688102] ; Thousand Youth Talents Plan of China ; Strategic Priority Research Program of Chinese Academy of Sciences Grant[XDB17000000] ; Academia Sinica of Taiwan ; Ministry of Science and Technology of Taiwan[106-2113-M-001-007-MY3] ; Ministry of Science and Technology of China[2016YBF0100100]
Funding OrganizationNational Natural Science Foundation of China ; National Natural Science Foundation of China ; Thousand Youth Talents Plan of China ; Thousand Youth Talents Plan of China ; Strategic Priority Research Program of Chinese Academy of Sciences Grant ; Strategic Priority Research Program of Chinese Academy of Sciences Grant ; Academia Sinica of Taiwan ; Academia Sinica of Taiwan ; Ministry of Science and Technology of Taiwan ; Ministry of Science and Technology of Taiwan ; Ministry of Science and Technology of China ; Ministry of Science and Technology of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Thousand Youth Talents Plan of China ; Thousand Youth Talents Plan of China ; Strategic Priority Research Program of Chinese Academy of Sciences Grant ; Strategic Priority Research Program of Chinese Academy of Sciences Grant ; Academia Sinica of Taiwan ; Academia Sinica of Taiwan ; Ministry of Science and Technology of Taiwan ; Ministry of Science and Technology of Taiwan ; Ministry of Science and Technology of China ; Ministry of Science and Technology of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Thousand Youth Talents Plan of China ; Thousand Youth Talents Plan of China ; Strategic Priority Research Program of Chinese Academy of Sciences Grant ; Strategic Priority Research Program of Chinese Academy of Sciences Grant ; Academia Sinica of Taiwan ; Academia Sinica of Taiwan ; Ministry of Science and Technology of Taiwan ; Ministry of Science and Technology of Taiwan ; Ministry of Science and Technology of China ; Ministry of Science and Technology of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Thousand Youth Talents Plan of China ; Thousand Youth Talents Plan of China ; Strategic Priority Research Program of Chinese Academy of Sciences Grant ; Strategic Priority Research Program of Chinese Academy of Sciences Grant ; Academia Sinica of Taiwan ; Academia Sinica of Taiwan ; Ministry of Science and Technology of Taiwan ; Ministry of Science and Technology of Taiwan ; Ministry of Science and Technology of China ; Ministry of Science and Technology of China
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS Research AreaChemistry ; Physics
WOS KeywordCONFORMER-DEPENDENT REACTIVITY ; MOLECULAR-ORBITAL METHODS ; ATMOSPHERIC CHEMISTRY ; UNIMOLECULAR REACTION ; RATE COEFFICIENTS ; WATER DIMER ; AIR-QUALITY ; CH2OO ; SO2 ; OZONOLYSIS
AbstractThe kinetics of the reaction of the simplest Criegee intermediate (CH2OO) with ammonia has been measured under pseudo-first-order conditions with two different experimental methods. We investigated the rate coefficients at 283, 298, 308, and 318 K at a pressure of 50 Torr using an OH laser-induced fluorescence (LIF) method. Weak temperature dependence of the rate coefficient was observed, which is consistent with the theoretical activation energy of -0.53 kcal mol(-1) predicted by quantum chemistry calculation at the QCISD(T)/CBS//B3LYP/6-311+G(2d,2p) level. At 298 K, the rate coefficient at 50 Torr from the OH LIF experiment was (5.64 +/- 0.56) x 10(-14) cm(3) molecule(-1) s(-1) while at 100 Torr we obtained a slightly larger value of (8.1 +/- 1.0) x 10(-14) cm(3) molecule(-1) s(-1) using the UV transient absorption method. These experimental values are within the theoretical error bars of the present as well as previous theoretical results. Our experimental results confirmed the previous conclusion that ammonia is negligible in the consumption of CH2OO in the atmosphere. We also note that CH2OO may compete with OH in the oxidation of ammonia under certain circumstances, such as at night-time, high altitude and winter time.
Language英语
Funding OrganizationNational Natural Science Foundation of China ; National Natural Science Foundation of China ; Thousand Youth Talents Plan of China ; Thousand Youth Talents Plan of China ; Strategic Priority Research Program of Chinese Academy of Sciences Grant ; Strategic Priority Research Program of Chinese Academy of Sciences Grant ; Academia Sinica of Taiwan ; Academia Sinica of Taiwan ; Ministry of Science and Technology of Taiwan ; Ministry of Science and Technology of Taiwan ; Ministry of Science and Technology of China ; Ministry of Science and Technology of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Thousand Youth Talents Plan of China ; Thousand Youth Talents Plan of China ; Strategic Priority Research Program of Chinese Academy of Sciences Grant ; Strategic Priority Research Program of Chinese Academy of Sciences Grant ; Academia Sinica of Taiwan ; Academia Sinica of Taiwan ; Ministry of Science and Technology of Taiwan ; Ministry of Science and Technology of Taiwan ; Ministry of Science and Technology of China ; Ministry of Science and Technology of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Thousand Youth Talents Plan of China ; Thousand Youth Talents Plan of China ; Strategic Priority Research Program of Chinese Academy of Sciences Grant ; Strategic Priority Research Program of Chinese Academy of Sciences Grant ; Academia Sinica of Taiwan ; Academia Sinica of Taiwan ; Ministry of Science and Technology of Taiwan ; Ministry of Science and Technology of Taiwan ; Ministry of Science and Technology of China ; Ministry of Science and Technology of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Thousand Youth Talents Plan of China ; Thousand Youth Talents Plan of China ; Strategic Priority Research Program of Chinese Academy of Sciences Grant ; Strategic Priority Research Program of Chinese Academy of Sciences Grant ; Academia Sinica of Taiwan ; Academia Sinica of Taiwan ; Ministry of Science and Technology of Taiwan ; Ministry of Science and Technology of Taiwan ; Ministry of Science and Technology of China ; Ministry of Science and Technology of China
WOS IDWOS:000452484800006
PublisherROYAL SOC CHEMISTRY
Citation statistics
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/166459
Collection中国科学院大连化学物理研究所
Corresponding AuthorChen, Maodu; Takahashi, Kaito; Dong, Wenrui; Yang, Xueming
Affiliation1.Dalian Univ Technol, Sch Phys, Key Lab Mat Modificat Laser Ion & Electron Beams, Minist Educ, Dalian 116024, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
3.Acad Sinica, Inst Atom & Mol Sci, Taipei 10617, Taiwan
4.Dalian Univ Technol, Sch Environm Sci & Technol, State Key Lab Fine Chem, Dalian 116024, Peoples R China
5.Dalian Univ Technol, Sch Environm Sci & Technol, Key Lab Ind Ecol & Environm Engn, Dalian 116024, Peoples R China
6.Natl Taiwan Univ, Dept Chem, Taipei 10617, Taiwan
7.Southern Univ Sci & Technol, Dept Chem, 1088 Xueyuan Rd, Shenzhen 518055, Peoples R China
Recommended Citation
GB/T 7714
Liu, Yiqiang,Yin, Cangtao,Smith, Mica C.,et al. Kinetics of the reaction of the simplest Criegee intermediate with ammonia: a combination of experiment and theory[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2018,20(47):29669-29676.
APA Liu, Yiqiang.,Yin, Cangtao.,Smith, Mica C..,Liu, Siyue.,Chen, Maodu.,...&Yang, Xueming.(2018).Kinetics of the reaction of the simplest Criegee intermediate with ammonia: a combination of experiment and theory.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,20(47),29669-29676.
MLA Liu, Yiqiang,et al."Kinetics of the reaction of the simplest Criegee intermediate with ammonia: a combination of experiment and theory".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20.47(2018):29669-29676.
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