| 取代硝基乙烯与二甲胺加成反应中间体结构的量子化学从头算研究 |
| |
| 引用本文： | 冀永强.取代硝基乙烯与二甲胺加成反应中间体结构的量子化学从头算研究[J].宁夏大学学报(自然科学版),1998,19(3):266-267. |
| |
| 作者姓名： | 冀永强 |
| |
| 作者单位： | 宁夏大学化学与化工系 |
| |
| 摘 要： | 在从头算（３－２１Ｇ）等级上研究了不同性质取代基存在时，取代硝基乙烯同二甲胺加在中间体的结构，指出中间体的生成与取代基对反应物分子的Ｃ＝Ｃ的活化作用有关。
|
| 关 键 词： | 取代硝基乙烯 ZW中间体 二甲胺 加成反应 从头算 |
AB INITIO STUDY ON THE REACTION INTERMEDIATE ABOUT THE ADDITION OF AMINE TO SUBSTITUTED NITROETHEYLENE |
| |
| Ji Yongqiang.AB INITIO STUDY ON THE REACTION INTERMEDIATE ABOUT THE ADDITION OF AMINE TO SUBSTITUTED NITROETHEYLENE[J].Journal of Ningxia University(Natural Science Edition),1998,19(3):266-267. |
| |
| Authors: | Ji Yongqiang |
| |
| Institution: | Ji Yongqiang Department of Chemistry & Chemical Engineering,Ningxia University,750021,China |
| |
| Abstract: | Based on Ab intio calculation(3 21G) level,several intermediates of addition reaction of dimethy amine to substituted nitroethylene are studied.It is given that formation of intermediates is related to the properties of the substituents,that is,if the ethylenic bond of nitroethylene is activated by the substituent,ZW intermediate can be formed easily. |
| |
| Keywords: | Ab initio ZW intermediate substituted nitroethylene |
| 本文献已被 CNKI 维普 等数据库收录！ |
