Rotational and Isotopic Effects in the H-2 + OH+ -> H + H2O+ Reaction
文献类型：期刊论文
| 作者 | Song, Hongwei1,2; Li, Anyang1,3; Guo, Hua1 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY A
 |
| 出版日期 | 2016-07-14 |
| 卷号 | 120期号:27页码:4742-4748 |
| 英文摘要 | Initial state selected time-dependent wave packet and quasi-classical trajectory methods are employed to study the effects of reactant rotational excitations and isotopic substitutions on the title reaction. The coupled channel (CC) and/or centrifugal sudden (CS) integral cross sections are calculated quantum mechanically. It was found that the CS cross sections are slightly smaller than the CC counterparts over the collision energy range studied. The quantum dynamical and quasi-classical trajectory results agree reasonably well and both indicate that the rotational excitation of H-2 enhances the reaction in all energies, whereas the rotational excitation of OH+ promotes the reaction more strongly at low collision energies but has a negligible effect at high collision energies. In addition, there exist significant isotopic substitution effects: The reaction cross section of the D-2 + OH+ reaction is much lower than those of the H-2 + OH+ and HD + OH+ reactions, which are quite close. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Physical ; Physics, Atomic, Molecular & Chemical |
| 研究领域[WOS] | Chemistry ; Physics |
| 关键词[WOS] | INTERSTELLAR OH+ ; ION CHEMISTRY ; H2O+ ; CLOUDS ; H3O+ ; MOLECULES ; DYNAMICS ; SPACE |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000379988900016 |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/9461]  |
| 专题 | 武汉物理与数学研究所_理论与交叉研究部 |
| 作者单位 | 1.Univ New Mexico, Dept Chem & Chem Biol, Albuquerque, NM 87131 USA 2.Chinese Acad Sci, Wuhan Inst Phys & Math, Natl Ctr Magnet Resonance Wuhan, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China 3.Northwest Univ, Coll Chem & Mat Sci, Xian 710069, Peoples R China |
| 推荐引用方式 GB/T 7714 | Song, Hongwei,Li, Anyang,Guo, Hua. Rotational and Isotopic Effects in the H-2 + OH+ -> H + H2O+ Reaction[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2016,120(27):4742-4748. |
| APA | Song, Hongwei,Li, Anyang,&Guo, Hua.(2016).Rotational and Isotopic Effects in the H-2 + OH+ -> H + H2O+ Reaction.JOURNAL OF PHYSICAL CHEMISTRY A,120(27),4742-4748. |
| MLA | Song, Hongwei,et al."Rotational and Isotopic Effects in the H-2 + OH+ -> H + H2O+ Reaction".JOURNAL OF PHYSICAL CHEMISTRY A 120.27(2016):4742-4748. |
入库方式： OAI收割
来源：武汉物理与数学研究所
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