Isotope effect and Coriolis coupling effect for the Li plus H(D)Cl -> LiCl H(D) reaction
文献类型：期刊论文
| 作者 | Ding, Junxia2; Zhai, Hongsheng1,3; Liang, Guanglei1,3; Liu, Yufang1,3 |
| 刊名 | CHINESE PHYSICS B
 |
| 出版日期 | 2019-05-01 |
| 卷号 | 28期号:5页码:5 |
| 关键词 | isotope effect Coriolis coupling rate constant quantum wave packet |
| ISSN号 | 1674-1056 |
| DOI | 10.1088/1674-1056/28/5/053401 |
| 通讯作者 | Zhai, Hongsheng(hszhai@htu.cn) ; Liu, Yufang(yf-liu@htu.cn) |
| 英文摘要 | A time-dependent quantum wave packet method is used to investigate the dynamics of the Li + H(D)Cl reaction based on a new potential energy surface (J. Chem. Phys. 146 164305 (2017)). The reaction probabilities of the Coriolis coupled (CC) and centrifugal sudden (CS) calculations, the integral cross sections, the reaction rate constants are obtained. The rate constants of the Li + HCl reaction are within the error bounds at low temperature. A comparison of the CC and CS results reveals that the Coriolis coupling plays an important role in the Li + H(D)Cl reaction. The CC cross sections are larger than the CS results within the entire energy range, demonstrating that the Coriolis coupling effect can more effectively promote the Li + DCl reaction than the Li + HCl reaction. It is found that the isotope effect has a great influence on the title reaction. |
| WOS关键词 | POTENTIAL SURFACES ; LI+HCL ; SCATTERING ; COLLISIONS ; MOLECULES ; HCL |
| 资助项目 | National Natural Science Foundation of China[11274096] ; National Natural Science Foundation of China[11604083] |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000468326100001 |
| 出版者 | IOP PUBLISHING LTD |
| 资助机构 | National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/171937]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 通讯作者 | Zhai, Hongsheng; Liu, Yufang |
| 作者单位 | 1.Henan Normal Univ, Acad Phys & Mat Sci, Spectral Measurement & Applicat Infrared Mat Key, Xinxiang 453007, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 3.Henan Normal Univ, Coll Phys & Mat Sci, Xinxiang 453007, Peoples R China |
| 推荐引用方式 GB/T 7714 | Ding, Junxia,Zhai, Hongsheng,Liang, Guanglei,et al. Isotope effect and Coriolis coupling effect for the Li plus H(D)Cl -> LiCl H(D) reaction[J]. CHINESE PHYSICS B,2019,28(5):5. |
| APA | Ding, Junxia,Zhai, Hongsheng,Liang, Guanglei,&Liu, Yufang.(2019).Isotope effect and Coriolis coupling effect for the Li plus H(D)Cl -> LiCl H(D) reaction.CHINESE PHYSICS B,28(5),5. |
| MLA | Ding, Junxia,et al."Isotope effect and Coriolis coupling effect for the Li plus H(D)Cl -> LiCl H(D) reaction".CHINESE PHYSICS B 28.5(2019):5. |
入库方式： OAI收割
来源：大连化学物理研究所
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