The extent of non-Born-Oppenheimer coupling in the reaction of Cl(P-2) with para-H-2
文献类型：期刊论文
| 作者 | Wang, Xingan1; Dong, Wenrui1; Xiao, Chunlei1; Che, Li1; Ren, Zefeng1; Dai, Dongxu1; Wang, Xiuyan1; Casavecchia, Piergiorgio1; Yang, Xueming1; Jiang, Bin2 |
| 刊名 | science
 |
| 出版日期 | 2008-10-24 |
| 卷号 | 322期号:5901页码:573-576 |
| 英文摘要 | elementary triatomic reactions offer a compelling test of our understanding of the extent of electron-nuclear coupling in chemical reactions, which is neglected in the widely applied born-oppenheimer (bo) approximation. the bo approximation predicts that in reactions between chlorine (cl) atoms and molecular hydrogen, the excited spin-orbit state (cl*) should not participate to a notable extent. we report molecular beam experiments, based on hydrogen-atom rydberg tagging detection, that reveal only a minor role of cl*. these results are in excellent agreement with fully quantum-reactive scattering calculations based on two sets of ab initio potential energy surfaces. this study resolves a previous disagreement between theory and experiment and confirms our ability to simulate accurately chemical reactions on multiple potential energy surfaces. |
| WOS标题词 | science & technology |
| 类目[WOS] | multidisciplinary sciences |
| 研究领域[WOS] | science & technology - other topics |
| 关键词[WOS] | differential cross-sections ; hydrogen-exchange reaction ; spin-orbit ; reaction dynamics ; f+h-2 reaction ; state ; approximation ; surface ; system ; atom |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000260299100039 |
| 公开日期 | 2015-11-17 |
| 源URL | [http://159.226.238.44/handle/321008/141105]  |
| 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, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 2.Nanjing Univ, Inst Theoret & Computat Chem, Key Lab Mesoscop Chem, Minist Educ,Sch Chem & Chem Engn, Nanjing 210093, Peoples R China 3.Nanyang Technol Univ, Sch Phys & Math Sci, Singapore 637371, Singapore 4.Univ Stuttgart, Inst Theoret Chem, D-70569 Stuttgart, Germany 5.Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA 6.Univ Maryland, Inst Phys Sci & Technol, College Pk, MD 20742 USA |
| 推荐引用方式 GB/T 7714 | Wang, Xingan,Dong, Wenrui,Xiao, Chunlei,et al. The extent of non-Born-Oppenheimer coupling in the reaction of Cl(P-2) with para-H-2[J]. science,2008,322(5901):573-576. |
| APA | Wang, Xingan.,Dong, Wenrui.,Xiao, Chunlei.,Che, Li.,Ren, Zefeng.,...&Alexander, Millard H..(2008).The extent of non-Born-Oppenheimer coupling in the reaction of Cl(P-2) with para-H-2.science,322(5901),573-576. |
| MLA | Wang, Xingan,et al."The extent of non-Born-Oppenheimer coupling in the reaction of Cl(P-2) with para-H-2".science 322.5901(2008):573-576. |
入库方式： OAI收割
来源：大连化学物理研究所
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