A Quasiclassical Trajectory Study of the CH4+O(P-3)-> CH3+OH Reaction
文献类型：期刊论文
| 作者 | Xu Lijin; Yan Jimin; Gao Zhen; Kong Fan'ao; Zhu Qihe |
| 刊名 | ACTA PHYSICO-CHIMICA SINICA
 |
| 出版日期 | 1997 |
| 卷号 | 13期号:11页码:999-1004 |
| 关键词 | Quasiclassical Trajectory Calculation Peripheral Dynamical Reaction Direct Reaction |
| ISSN号 | 1000-6818 |
| DOI | 10.3866/PKU.WHXB19971108 |
| 英文摘要 | The reaction of CH4+O(P-3)-> CH3+OH was studied with the quasiclassical trajectory calculation. Both CH4(v=0, j=0) and CH4(v=1, j=1) were used. The results showed that the reaction of CH4(v=0, j=0) + O(P-3)-> CH3+OH is a direct reaction at lower or larger impact parameters with the preferentially backward scattered OH, and the product OH is rotationally cold and in the vibrationally ground state, The reaction of CH4(v=1, j=1) + O(P-2)-> CH3 + is a peripheral dynamical reaction with the preferentially forward scattered OH. This reaction was found to proceed with two distinct mechanism: for trajectories with a large impact parameter, a very short lived complex is formed with a rotationally cold OH, which is in vibrationally excited state(v=1) and scattered into the forward direction; at smaller impact parameters, the reaction proceeds via a direct mechanism with a rotationally hot OH, which has little vibrational excitation and is scatted backward. |
| 语种 | 英语 |
| WOS记录号 | WOS:000207602100008 |
| 出版者 | PEKING UNIV PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/74115]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Xu Lijin |
| 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 Lijin,Yan Jimin,Gao Zhen,et al. A Quasiclassical Trajectory Study of the CH4+O(P-3)-> CH3+OH Reaction[J]. ACTA PHYSICO-CHIMICA SINICA,1997,13(11):999-1004. |
| APA | Xu Lijin,Yan Jimin,Gao Zhen,Kong Fan'ao,&Zhu Qihe.(1997).A Quasiclassical Trajectory Study of the CH4+O(P-3)-> CH3+OH Reaction.ACTA PHYSICO-CHIMICA SINICA,13(11),999-1004. |
| MLA | Xu Lijin,et al."A Quasiclassical Trajectory Study of the CH4+O(P-3)-> CH3+OH Reaction".ACTA PHYSICO-CHIMICA SINICA 13.11(1997):999-1004. |
入库方式： OAI收割
来源：化学研究所
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