Kinetics of the reaction of the simplest criegee intermediate with ammonia: a combination of experiment and theory
文献类型：期刊论文
| 作者 | 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 |
| 刊名 | Physical chemistry chemical physics
 |
| 出版日期 | 2018-12-21 |
| 卷号 | 20期号:47页码:29669-29676 |
| ISSN号 | 1463-9076 |
| DOI | 10.1039/c8cp05920a |
| 通讯作者 | Chen, maodu(mdchen@dlut.edu.cn) ; Takahashi, kaito(kt@gate.sinica.edu.tw) ; Dong, wenrui(wrdong@dicp.ac.cn) ; Yang, xueming(xmyang@dicp.ac.cn) |
| 英文摘要 | The 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. |
| WOS关键词 | CONFORMER-DEPENDENT REACTIVITY ; MOLECULAR-ORBITAL METHODS ; ATMOSPHERIC CHEMISTRY ; UNIMOLECULAR REACTION ; RATE COEFFICIENTS ; WATER DIMER ; AIR-QUALITY ; CH2OO ; SO2 ; OZONOLYSIS |
| WOS研究方向 | Chemistry ; Physics |
| WOS类目 | Chemistry, Physical ; Physics, Atomic, Molecular & Chemical |
| 语种 | 英语 |
| WOS记录号 | WOS:000452484800006 |
| 出版者 | ROYAL SOC CHEMISTRY |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2372990 |
| 专题 | 大连化学物理研究所 |
| 通讯作者 | Chen, Maodu; Takahashi, Kaito; Dong, Wenrui; Yang, Xueming |
| 作者单位 | 1.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 |
| 推荐引用方式 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. |
入库方式： iSwitch采集
来源：大连化学物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。