Product fine-structure resolved photodissociation dynamics: The A band of H2O
文献类型：期刊论文
| 作者 | Zhou, Linsen1; Xie, Daiqian1,2; Sun, Zhigang3,4; Guo, Hua5 |
| 刊名 | journal of chemical physics
 |
| 出版日期 | 2014-01-14 |
| 卷号 | 140期号:2页码:024310 |
| 通讯作者 | 谢代前 ; 郭华 |
| 英文摘要 | the photodissociation dynamics of h2o in its first absorption band is investigated on an accurate potential energy surface based on a large number of high-level ab initio points. several rovibrational states of the parent molecule are considered. different from most previous theoretical studies, the spin-orbit and lambda-doublet populations of the open-shell oh fragment are reported from full-dimensional wave packet calculations. the populations of the two spin-orbit manifolds are in most cases close to the statistical limit, but the lambda-doublet is dominated by the a '' component, thanks largely to the fast in-plane dissociation of h2o((a) over tilde (1)a ''). comparisons with experimental data and a franck-condon model are generally very good, although some discrepancies exist. (c) 2014 aip publishing llc. |
| WOS标题词 | science & technology ; physical sciences |
| 学科主题 | 物理化学 |
| 类目[WOS] | physics, atomic, molecular & chemical |
| 研究领域[WOS] | physics |
| 关键词[WOS] | 1st absorption-band ; to-state photodissociation ; lambda-doublet ; reactive scattering ; dissociation dynamics ; linear-molecules ; cross-sections ; oh product ; 121.6 nm ; water |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000329925200023 |
| 公开日期 | 2016-05-09 |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/144290]  |
| 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 |
| 作者单位 | 1.Nanjing Univ, Sch Chem & Chem Engn, Key Lab Mesoscop Chem, Inst Theoret & Computat Chem, Nanjing 210093, Jiangsu, Peoples R China 2.Univ Sci & Technol China, Synerget Innovat Ctr Quantum Informat & Quantum P, Hefei 230026, Anhui, Peoples R China 3.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 4.Chinese Acad Sci, Dalian Inst Chem Phys, Ctr Theoret & Computat Chem, Dalian 116023, Peoples R China 5.Univ New Mexico, Dept Chem & Chem Biol, Albuquerque, NM 87131 USA |
| 推荐引用方式 GB/T 7714 | Zhou, Linsen,Xie, Daiqian,Sun, Zhigang,et al. Product fine-structure resolved photodissociation dynamics: The A band of H2O[J]. journal of chemical physics,2014,140(2):024310. |
| APA | Zhou, Linsen,Xie, Daiqian,Sun, Zhigang,&Guo, Hua.(2014).Product fine-structure resolved photodissociation dynamics: The A band of H2O.journal of chemical physics,140(2),024310. |
| MLA | Zhou, Linsen,et al."Product fine-structure resolved photodissociation dynamics: The A band of H2O".journal of chemical physics 140.2(2014):024310. |
入库方式： OAI收割
来源：大连化学物理研究所
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