A quasiclassical trajectory study of the C2H6+Cl -> HCl+C2H5 reaction
文献类型：期刊论文
| 作者 | Xu, LJ; Wang, XB; Yan, JM; Kong, F |
| 刊名 | ACTA PHYSICO-CHIMICA SINICA
 |
| 出版日期 | 1998-02-01 |
| 卷号 | 14期号:2页码:158-163 |
| 关键词 | Quasiclassical Trajectory Calculation Peripheral Dynamical Reaction Complex Reaction Direct Reaction |
| ISSN号 | 1000-6818 |
| DOI | 10.3866/PKU.WHXB19980212 |
| 英文摘要 | The reaction of C2H6(v=0, j) + Cl +C2H5 + HCl was studied with a 3-atom quasiclassical trajectory calculation. The results indicate that the HCl product is in its vibrationally ground state (v=0) and has little rotational excitation, but the scattering distribution is nearly isotropic, which is in agreement with the, experimental results. The reaction trajectories reveal that this reaction is a direct type, but is found to proceed via two distinct mechanism: for trajectories with a large impact parameter, a very short lived complex is formed with a rotationally cold HCl, and scattered into the forward direction; at smaller impact parameters, the reaction proceeds via a direct mechanism: the HCl is rotationally hotter than at larger impact parameter, and is scattered backward. |
| 语种 | 英语 |
| WOS记录号 | WOS:000074858400012 |
| 出版者 | PEKING UNIV PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/74791]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Yan, JM |
| 作者单位 | Acad Sinica, Inst Chem, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xu, LJ,Wang, XB,Yan, JM,et al. A quasiclassical trajectory study of the C2H6+Cl -> HCl+C2H5 reaction[J]. ACTA PHYSICO-CHIMICA SINICA,1998,14(2):158-163. |
| APA | Xu, LJ,Wang, XB,Yan, JM,&Kong, F.(1998).A quasiclassical trajectory study of the C2H6+Cl -> HCl+C2H5 reaction.ACTA PHYSICO-CHIMICA SINICA,14(2),158-163. |
| MLA | Xu, LJ,et al."A quasiclassical trajectory study of the C2H6+Cl -> HCl+C2H5 reaction".ACTA PHYSICO-CHIMICA SINICA 14.2(1998):158-163. |
入库方式： OAI收割
来源：化学研究所
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