中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Reaction mechanism between ClONO2 and Cl (P-2(3/2))

文献类型:期刊论文

作者Sun, RA; Tao, ZL; Sun, YB; Jin, F; Han, KL
刊名chemical journal of chinese universities-chinese
出版日期2002-10-01
卷号23期号:10页码:1903-1906
关键词ClONO2 density functional theory reaction mechanism transition state
英文摘要the reaction mechanism of reaction clono2 + cl ((2)p(3/2)) -->cl-2 + no3 (a) and the reaction clono2 + cl(p-2(3/2))-->clo + clono (cis) (b) and the reaction clono2 +cl(p-2(3/2))-->cloci+no2 has been studied with gaussian 98, b3lyp/6-31g(*) method. the transition states of various possible reaction pathways are obtained and are verified by internal reaction coordinate (irc) analysis. the results show that the activation energy of reactions (a), (b) and (c) are 4. 5, 57. 6 and 37. 3 kj . mol(-1), respectively. in comparison with the reactions (b) and (c), reaction (a) is the main reaction because of this activation energy.
WOS标题词science & technology ; physical sciences
类目[WOS]chemistry, multidisciplinary
研究领域[WOS]chemistry
关键词[WOS]chlorine nitrate
收录类别SCI
语种英语
WOS记录号WOS:000178758400018
公开日期2015-11-10
源URL[http://159.226.238.44/handle/321008/139160]  
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.Liaoning Normal Univ, Dept Chem, Dalian 116029, Peoples R China
2.Jilin Univ, State Key Lab Theoret & Computat Chem, Changchun 130023, Peoples R China
3.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
推荐引用方式
GB/T 7714
Sun, RA,Tao, ZL,Sun, YB,et al. Reaction mechanism between ClONO2 and Cl (P-2(3/2))[J]. chemical journal of chinese universities-chinese,2002,23(10):1903-1906.
APA Sun, RA,Tao, ZL,Sun, YB,Jin, F,&Han, KL.(2002).Reaction mechanism between ClONO2 and Cl (P-2(3/2)).chemical journal of chinese universities-chinese,23(10),1903-1906.
MLA Sun, RA,et al."Reaction mechanism between ClONO2 and Cl (P-2(3/2))".chemical journal of chinese universities-chinese 23.10(2002):1903-1906.

入库方式: OAI收割

来源:大连化学物理研究所

浏览0
下载0
收藏0
其他版本

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。