Breakdown of the Born-Oppenheimer approximation in the F+o-D-2 -> DF+D reaction
文献类型：期刊论文
| 作者 | Che, Li; Ren, Zefeng; Wang, Xingan; Dong, Wenrui; Dai, Dongxu; Wang, Xiuyan; Zhang, Dong H.; Yang, Xueming; Sheng, Liusi; Li, Guoliang |
| 刊名 | science
 |
| 出版日期 | 2007-08-24 |
| 卷号 | 317期号:5841页码:1061-1064 |
| 英文摘要 | the reaction of f with h-2 and its isotopomers is the paradigm for an exothermic triatomic abstraction reaction. in a crossed-beam scattering experiment, we determined relative integral and differential cross sections for reaction of the ground f(p-2(3/2)) and excited f*(p-2(1/2)) spin-orbit states with d-2 for collision energies of 0.25 to 1.2 kilocalorie/mole. at the lowest collision energy, f* is similar to 1.6 times more reactive than f, although reaction of f* is forbidden within the born-oppenheimer (bo) approximation. as the collision energy increases, the bo-allowed reaction rapidly dominates. we found excellent agreement between multistate, quantum reactive scattering calculations and both the measured energy dependence of the f*/f reactivity ratio and the differential cross sections. this agreement confirms the fundamental understanding of the factors controlling electronic nonadiabaticity in abstraction reactions. |
| WOS标题词 | science & technology |
| 类目[WOS] | multidisciplinary sciences |
| 研究领域[WOS] | science & technology - other topics |
| 关键词[WOS] | molecular-beam ; spin-orbit ; chemical-reaction ; reaction dynamics ; cross-sections ; state ; resonances ; collision ; atom ; distributions |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000248946700038 |
| 公开日期 | 2015-11-17 |
| 源URL | [http://159.226.238.44/handle/321008/140609]  |
| 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, Liaoning, Peoples R China 2.Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Anhui, Peoples R China 3.Univ Stuttgart, Inst Theoret Chem, D-75069 Stuttgart, Germany 4.Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA 5.Univ Maryland, Inst Phys Sci & Technol, College Pk, MD 20742 USA |
| 推荐引用方式 GB/T 7714 | Che, Li,Ren, Zefeng,Wang, Xingan,et al. Breakdown of the Born-Oppenheimer approximation in the F+o-D-2 -> DF+D reaction[J]. science,2007,317(5841):1061-1064. |
| APA | Che, Li.,Ren, Zefeng.,Wang, Xingan.,Dong, Wenrui.,Dai, Dongxu.,...&Alexander, Millard H..(2007).Breakdown of the Born-Oppenheimer approximation in the F+o-D-2 -> DF+D reaction.science,317(5841),1061-1064. |
| MLA | Che, Li,et al."Breakdown of the Born-Oppenheimer approximation in the F+o-D-2 -> DF+D reaction".science 317.5841(2007):1061-1064. |
入库方式： OAI收割
来源：大连化学物理研究所
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