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。