Theoretical Study of the Validity of the Polanyi Rules for the Late-Barrier Cl + CHD3 Reaction
文献类型：期刊论文
| 作者 | Zhang, Zhaojun1; Zhou, Yong1; Zhang, Dong H.1; Czako, Gabor2,3; Bowman, Joel M.2,3 |
| 刊名 | journal of physical chemistry letters
 |
| 出版日期 | 2012-12-06 |
| 卷号 | 3期号:23页码:3416-3419 |
| 英文摘要 | the polanyi rules, which state that vibrational energy is more efficient in promoting a late-barrier reaction than translational energy, were questioned recently by an experimental unexpected finding that the ch stretch excitation is no more effective in promoting the late-barrier cl + chd3 reaction than the translational energy. however, the present quantum dynamics study on the best-available potential energy surface for the title reaction reveals that the ch stretch excitation does promote the reaction significantly, except at low collision energies. further studies should be carried out to solve the disagreements between theory and experiment on the reaction. |
| WOS标题词 | science & technology ; physical sciences ; technology |
| 类目[WOS] | chemistry, physical ; nanoscience & nanotechnology ; materials science, multidisciplinary ; physics, atomic, molecular & chemical |
| 研究领域[WOS] | chemistry ; science & technology - other topics ; materials science ; physics |
| 关键词[WOS] | bond-selected reaction ; chlorine-atom ; bimolecular reactions ; chemical-reactions ; reaction dynamics ; chemistry ; quantum ; energy ; mode ; reactivity |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000312170600003 |
| 公开日期 | 2015-11-10 |
| 源URL | [http://159.226.238.44/handle/321008/138052]  |
| 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, State Key Lab Mol React Dynam, Dalian Inst Chem Phys, Dalian 116023, Liaoning, Peoples R China 2.Emory Univ, Cherry L Emerson Ctr Sci Computat, Atlanta, GA 30322 USA 3.Emory Univ, Dept Chem, Atlanta, GA 30322 USA |
| 推荐引用方式 GB/T 7714 | Zhang, Zhaojun,Zhou, Yong,Zhang, Dong H.,et al. Theoretical Study of the Validity of the Polanyi Rules for the Late-Barrier Cl + CHD3 Reaction[J]. journal of physical chemistry letters,2012,3(23):3416-3419. |
| APA | Zhang, Zhaojun,Zhou, Yong,Zhang, Dong H.,Czako, Gabor,&Bowman, Joel M..(2012).Theoretical Study of the Validity of the Polanyi Rules for the Late-Barrier Cl + CHD3 Reaction.journal of physical chemistry letters,3(23),3416-3419. |
| MLA | Zhang, Zhaojun,et al."Theoretical Study of the Validity of the Polanyi Rules for the Late-Barrier Cl + CHD3 Reaction".journal of physical chemistry letters 3.23(2012):3416-3419. |
入库方式： OAI收割
来源：大连化学物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。