中国科学院大连化学物理研究所机构知识库
Advanced  
DICP OpenIR  > 中国科学院大连化学物理研究所  > 期刊论文
题名: A Quasiclassical Trajectory Study of the CH4+O(P-3)-> CH3+OH Reaction
作者: Xu Lijin1;  Yan Jimin1;  Gao Zhen1;  Kong Fan'ao1;  Zhu Qihe1
关键词: Quasiclassical trajectory calculation ;  Peripheral dynamical reaction ;  Direct reaction
刊名: ACTA PHYSICO-CHIMICA SINICA
发表日期: 1997
DOI: 10.3866/PKU.WHXB19971108
卷: 13, 期:11, 页:999-1004
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical
研究领域[WOS]: Chemistry
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
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/142805
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

Files in This Item:

There are no files associated with this item.


作者单位: 1.Acad Sinica, Inst Chem, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China

Recommended Citation:
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.
Service
 Recommend this item
 Sava as my favorate item
 Show this item's statistics
 Export Endnote File
Google Scholar
 Similar articles in Google Scholar
 [Xu Lijin]'s Articles
 [Yan Jimin]'s Articles
 [Gao Zhen]'s Articles
CSDL cross search
 Similar articles in CSDL Cross Search
 [Xu Lijin]‘s Articles
 [Yan Jimin]‘s Articles
 [Gao Zhen]‘s Articles
Related Copyright Policies
Null
Social Bookmarking
  Add to CiteULike  Add to Connotea  Add to Del.icio.us  Add to Digg  Add to Reddit 
所有评论 (0)
暂无评论
 
评注功能仅针对注册用户开放,请您登录
您对该条目有什么异议,请填写以下表单,管理员会尽快联系您。
内 容:
Email:  *
单位:
验证码:   刷新
您在IR的使用过程中有什么好的想法或者建议可以反馈给我们。
标 题:
 *
内 容:
Email:  *
验证码:   刷新

Items in IR are protected by copyright, with all rights reserved, unless otherwise indicated.

 

 

Valid XHTML 1.0!
Powered by CSpace