The investigation of spin-orbit effect for the F(P-2) plus HD reaction
文献类型：期刊论文
| 作者 | Zhang, Y; Xie, TX; Han, KL; Zhang, JZH |
| 刊名 | journal of chemical physics
 |
| 出版日期 | 2004-04-01 |
| 卷号 | 120期号:13页码:6000-6004 |
| 英文摘要 | in this paper, we employ the time-dependent quantum wave packet method to study the reaction of f(p-2(3/2), p-2(1/2)) with hd on the alexander-stark-werner potential energy surface. the reaction probabilities and total integral cross sections of the spin-orbit ground and excited states for the two possible products of the system are calculated. because the reaction channel of the excited spin-orbit state is closed at the resonance energy, the resonance feature does not appear in the reaction probabilities and cross section for the f(p-2(1/2))+hd(v=j=0)-->hf+d reaction, in contrast with that found for the ground spin-orbit state. we also compare the average cross sections of the two possible products with the experimental measurement. the resonance peak in the present average cross section for the hf+d product is slightly larger than the experimental result, but much smaller than that of the single-state calculations on the potential energy surface of stark and werner. it seems that the spin-orbit coupling would play a relatively important role in this reaction. moreover, the isotope effects of the ground and excited spin-orbit states and the reactivity of the two product channels from the excited spin-orbit state are presented. (c) 2004 american institute of physics. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | physics, atomic, molecular & chemical |
| 研究领域[WOS] | physics |
| 关键词[WOS] | electronic nonadiabatic transitions ; molecular-beam experiments ; potential-energy surfaces ; f+h-2 reaction ; reaction dynamics ; supersonic jets ; cross-sections ; distributions ; scattering ; absorption |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000220269100017 |
| 公开日期 | 2015-11-10 |
| 源URL | [http://159.226.238.44/handle/321008/139389]  |
| 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.Chinese Acad Sci, Dalian Inst Chem Phys, Ctr Computat Chem, Dalian 116023, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 3.NYU, Dept Chem, New York, NY 10003 USA 4.Nanjing Univ, Inst Theoret & Computat Chem, Nanjing 210093, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, Y,Xie, TX,Han, KL,et al. The investigation of spin-orbit effect for the F(P-2) plus HD reaction[J]. journal of chemical physics,2004,120(13):6000-6004. |
| APA | Zhang, Y,Xie, TX,Han, KL,&Zhang, JZH.(2004).The investigation of spin-orbit effect for the F(P-2) plus HD reaction.journal of chemical physics,120(13),6000-6004. |
| MLA | Zhang, Y,et al."The investigation of spin-orbit effect for the F(P-2) plus HD reaction".journal of chemical physics 120.13(2004):6000-6004. |
入库方式： OAI收割
来源：大连化学物理研究所
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