高等学校化学学报 ›› 1985, Vol. 6 ›› Issue (8): 703.

• 研究论文 • 上一篇    下一篇

C6H6-NO2+体系的量子化学研究(Ⅲ)——中间体、过渡态和反应途径的分析

潘荫明, 赵学庄, 刘靖疆, 高振衡   

  1. 南开大学化学系
  • 收稿日期:1984-04-18 出版日期:1985-08-24 发布日期:1985-08-24
  • 基金资助:

    中国科学院科学基金

A Quantum Chemical Study of the C6H6-NO2+ System(Ⅲ)——The Analysis of Intermediates, Transition States and Reaction Path

Pan Yinming, Zhao Xuezhuang, Liu Jingjiang, Kao Chenheng   

  1. Department of Chemistry, Kankai University, Tianjin
  • Received:1984-04-18 Online:1985-08-24 Published:1985-08-24

摘要: 本文分析了用SCF-CNDO/2方法所得有关C6H6-NO2+体系的中间体与过渡态构型;探讨了苯硝化反应的途径,并解释了有关此反应的某些实验现象。

Abstract: In this paper, the configurations for the intermediates and transition slates of C6H8-NO2+ system, obtained by the SCF-CNDO/2 method, have been analyzed. The reaction path for nitration of benzene can be appraised. Additionally, some experiment phenomena in connection with this reaction may be explained, too.

TrendMD: