Comparison of experimental and theoretical quantum-state-selected integral cross-sections for the H2O+ + H-2 (D-2) reactions in the collision energy range of 0.04-10.00 eV
文献类型：期刊论文
| 作者 | Song, Hongwei1,3; Li, Anyang1,4; Guo, Hua1; Xu, Yuntao2; Xiong, Bo2; Chang, Yih-Chung2; Ng, C. Y.2 |
| 刊名 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
 |
| 出版日期 | 2016-08-28 |
| 卷号 | 18期号:32页码:22509-22515 |
| 英文摘要 | To understand the dynamics of H3O+ formation, we report a combined experimental-theoretical study of the rovibrationally state-selected ion-molecule reactions H2O+((XB1)-B-2; v(1)(+)v(2)(+)v(3)(+); NKa+Kc++) + H-2 (D-2) -> H3O+ (H2DO+) + H (D), where (v(1)(+)v(2)(+)v(3)(+)) = (000), (020), and (100) and N-Ka+K-c+(+) = 0(00), 1(11), and 2(11). Both quantum dynamics and quasi-classical trajectory calculations were carried out on an accurate full-dimensional ab initio global potential energy surface, which involves nine degrees of freedom. The theoretical results are in good agreement with experimental measurements of the initial state specific integral cross-sections for the formation of H3O+ (H2DO+) and thus provide valuable insights into the surprising rotational enhancement and vibrational inhibition effects in these prototypical ion-molecule reactions that play a key role in the interstellar generation of OH and H2O species. |
| 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] | FORMING BIMOLECULAR REACTIONS ; ATOM ABSTRACTION REACTIONS ; DENSE INTERSTELLAR CLOUDS ; ION-MOLECULE REACTIONS ; DYNAMICS ; H3O+ ; OH+ ; H-2 ; WATER ; CO2 |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000381436500055 |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/9574]  |
| 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.Univ Calif Davis, Dept Chem, Davis, CA 95616 USA 3.Chinese Acad Sci, Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China 4.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,et al. Comparison of experimental and theoretical quantum-state-selected integral cross-sections for the H2O+ + H-2 (D-2) reactions in the collision energy range of 0.04-10.00 eV[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2016,18(32):22509-22515. |
| APA | Song, Hongwei.,Li, Anyang.,Guo, Hua.,Xu, Yuntao.,Xiong, Bo.,...&Ng, C. Y..(2016).Comparison of experimental and theoretical quantum-state-selected integral cross-sections for the H2O+ + H-2 (D-2) reactions in the collision energy range of 0.04-10.00 eV.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,18(32),22509-22515. |
| MLA | Song, Hongwei,et al."Comparison of experimental and theoretical quantum-state-selected integral cross-sections for the H2O+ + H-2 (D-2) reactions in the collision energy range of 0.04-10.00 eV".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.32(2016):22509-22515. |
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来源：武汉物理与数学研究所
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