Stereodynamics of the reactions: F+H-2/HD/HT -> FH plus H/D/T
文献类型：期刊论文
| 作者 | Chi Xiao-Lin1; Zhao Jin-Feng1,2; Zhang Yong-Jia1; Ma Feng-Cai1; Li Yong-Qing1,2 |
| 刊名 | chinese physics b
 |
| 出版日期 | 2015-05-01 |
| 卷号 | 24期号:5 |
| 关键词 | quasi-calssical trajectory stereodynamics potential energy surface isotope effect |
| 英文摘要 | among many kinds of ways to study the properties of atom and molecule collision, the quasi-classical trajectory (qct) method is an effective one to investigate the molecular reaction dynamics. qct calculations have been carried out to investigate the stereodynamics of the reactions f+h-2/hd/ht -> fh+h/d/t, which proceed on the lowest-lying electronic states of the fh2 system based on the potential energy surface (pes) of the 1(2)a' fh2 ground state. although the qct method cannot describe all quantum effects in the process of the reaction, it has unique advantages when facing a three-atoms system or complicated polyatomic systems. differential cross sections (dcss) and three angle distribution functions p(theta(r)), p(phi(r)), p(theta(r), phi(r)) on the pes at the collision of 2.74 kcal/mol have been investigated. the isotope effect becomes more obvious with the reagent molecule h-2 turning into hd and ht. p(theta(r), phi(r)), as the joint probability density function of both polar angles theta(r) and phi(r), can reflect the properties of three-dimensional dynamic more intuitively. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | physics, multidisciplinary |
| 研究领域[WOS] | physics |
| 关键词[WOS] | potential-energy surface ; classical trajectory calculations ; product rotational polarization ; differential cross-sections ; molecular-beam ; transition-state ; f+h2 reaction ; scattering ; dependence ; dynamics |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000356528600031 |
| 公开日期 | 2016-05-09 |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/146316]  |
| 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.Liaoning Univ, Dept Phys, Shenyang 110036, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China |
| 推荐引用方式 GB/T 7714 | Chi Xiao-Lin,Zhao Jin-Feng,Zhang Yong-Jia,et al. Stereodynamics of the reactions: F+H-2/HD/HT -> FH plus H/D/T[J]. chinese physics b,2015,24(5). |
| APA | Chi Xiao-Lin,Zhao Jin-Feng,Zhang Yong-Jia,Ma Feng-Cai,&Li Yong-Qing.(2015).Stereodynamics of the reactions: F+H-2/HD/HT -> FH plus H/D/T.chinese physics b,24(5). |
| MLA | Chi Xiao-Lin,et al."Stereodynamics of the reactions: F+H-2/HD/HT -> FH plus H/D/T".chinese physics b 24.5(2015). |
入库方式： OAI收割
来源：大连化学物理研究所
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