Front-side S(N)2 reaction, CF3SO3CF2CF3+F-, leading to the C-O cleavage
文献类型：期刊论文
| 作者 | Guo, L; Yu, ZH; Zhu, SZ; Chen, QY |
| 刊名 | ACTA CHIMICA SINICA
 |
| 出版日期 | 2005-05-28 |
| 卷号 | 63期号:10页码:897-902 |
| 关键词 | Reaction Mechanism Dft Method Perfluorosulfonate The Front-side s(n)2 Reaction |
| ISSN号 | 0567-7351 |
| 英文摘要 | The front-side S(N)2 reaction, CF3SO3CF2CF3+F- leading to the C-O cleavage was studied using DFT. The reactant complex, transition state, product complex and products, including their vibration frequencies, were optimized and calculated at B3LYP/6-311G** level. The potential energy surface for the front-side S(N)2 reaction was investigated, showing that the front-side S(N)2 mechanism is possible. However, as shown by computation, the products are thermodynamically controlled, and the S-O cleavage is predominates over the C-O cleavage. As a result, it is difficult for the products resulting from the C-O cleavage to be detected experimentally. Meanwhile, the neighboring effect of the -CF3 group on the front-side S(N)2 mechanism was found. |
| 语种 | 英语 |
| WOS记录号 | WOS:000229327000005 |
| 出版者 | SCIENCE PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/56727]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Guo, L |
| 作者单位 | Chinese Acad Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Guo, L,Yu, ZH,Zhu, SZ,et al. Front-side S(N)2 reaction, CF3SO3CF2CF3+F-, leading to the C-O cleavage[J]. ACTA CHIMICA SINICA,2005,63(10):897-902. |
| APA | Guo, L,Yu, ZH,Zhu, SZ,&Chen, QY.(2005).Front-side S(N)2 reaction, CF3SO3CF2CF3+F-, leading to the C-O cleavage.ACTA CHIMICA SINICA,63(10),897-902. |
| MLA | Guo, L,et al."Front-side S(N)2 reaction, CF3SO3CF2CF3+F-, leading to the C-O cleavage".ACTA CHIMICA SINICA 63.10(2005):897-902. |
入库方式： OAI收割
来源：化学研究所
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。