| 亚硝酸过氧酯热分解反应的量子化学研究 |
| |
| 引用本文： | 彭雪萍.亚硝酸过氧酯热分解反应的量子化学研究[J].江西师范大学学报(自然科学版),1998,22(1):61-64. |
| |
| 作者姓名： | 彭雪萍 |
| |
| 作者单位： | 江西师范大学化学系 |
| |
| 摘 要： | 用ＲＨＦ／ＡＭ１方法研究了亚硝酸过氧酯的热分解反应柚是。结果表明，该反应所循的路径是途径一个四元环过渡态，消去亚硝酸生成酮。
|
| 关 键 词： | 亚硝酸过氧酯 热分解 过渡态 量子化学 |
Quantum Chemical Study on the Thermal Decompositions of Peroxy Nitrites |
| |
| Peng Xueping,Peng Yiyuan,Li Yonghong,Hong Sanguo.Quantum Chemical Study on the Thermal Decompositions of Peroxy Nitrites[J].Journal of Jiangxi Normal University (Natural Sciences Edition),1998,22(1):61-64. |
| |
| Authors: | Peng Xueping Peng Yiyuan Li Yonghong Hong Sanguo |
| |
| Abstract: | AM1 molecular orbital method using the restricted Hartree Fock(RHF) calculations has been applied to investigate the thermal decomposition of peroxy nitrites.The results obtained indicate that the reaction pathway is a four membered ring transition state process of elimination nitrous acid (or nitrous acid ester) to yield ketone(or aldehyde). |
| |
| Keywords: | peroxy nitrites thermal decomposition transition state |
| 本文献已被 CNKI 维普 等数据库收录！ |
