| SCRCR'CO重排反应的量子化学研究 |
| |
| 引用本文： | 李永红,洪三国.SCRCR'CO重排反应的量子化学研究[J].物理化学学报,1996,12(2):119-123. |
| |
| 作者姓名： | 李永红 洪三国 |
| |
| 作者单位： | Department of Chemistry,Jiangxi Normal University,Nanchang 330027 |
| |
| 摘 要： | 用ＭＩＮＤＯ／３方法研究ＳＣＲＣＲ’ＣＯ的热重排反应的机理，给出了活化能和ＩＲＣ途径，讨论了活化能与取代基Ｒ’和迁移基Ｒ的性质之间的内在联系。
|
| 关 键 词： | 重排反应 过渡态 反应途径 |
| 收稿时间： | 1995-04-08 |
| 修稿时间： | 1995-07-18 |
Quantum Chemical Study on the Rearrangements of SCRCR'CO |
| |
| Li Yong-Hong,Hong San-Guo.Quantum Chemical Study on the Rearrangements of SCRCR'CO[J].Acta Physico-Chimica Sinica,1996,12(2):119-123. |
| |
| Authors: | Li Yong-Hong Hong San-Guo |
| |
| Institution: | Department of Chemistry,Jiangxi Normal University,Nanchang 330027 |
| |
| Abstract: | MINDO/3 MO method has been used to study on the rearrangements of SCRCR′CO. The results obtained show that the rearrangement reaction has lower activation energy when R is an election rich migrating group, and phenyl group can decrease the activation energy of this reaction. |
| |
| Keywords: | Rearrangement reaction Transition state Reaction pathway |
| 本文献已被 维普 等数据库收录！ |
| 点击此处可从《物理化学学报》浏览原始摘要信息 |
| 点击此处可从《物理化学学报》下载免费的PDF全文 |
