物理化学学报 >> 1986, Vol. 2 >> Issue (02): 173-182.doi: 10.3866/PKU.WHXB19860212

研究论文 上一篇    下一篇

螯变反应中的轨道对称守恒原理及奇偶选择定则

黄宗浩; 王惠忠; 赵成大; 孙家钟   

  1. 东北师范大学化学系; 吉林大学理化所
  • 收稿日期:1985-03-02 修回日期:1985-11-05 发布日期:1986-04-15

THE CONSERVATION OF ORBITAL SYMMETRY AND ODD-EVEN SELECTION RULES FOR CHELETROPIC REACTIONS

Huang Zonghao; Wang Huizong; Zhao Chengda; Sun Chiachung   

  1. Chemistry Department of Northeastern Normal University; Institute of Theoretical Chemistry, Jilin University
  • Received:1985-03-02 Revised:1985-11-05 Published:1986-04-15

摘要: 本文在唐敖庆等人提出的化学反应局部对称性新概念的基础上, 按Woodward-Hoffmann对螯变反应的约定, 利用HMO法对含奇数或偶数个碳原子的反应体系推导出各类螯变反应的MO特征根方程。进而做出了能量相关曲线和电子总能量曲线, 证明了Woodward-Hoffmann的选择定则完全适用于含奇数或偶数个碳的螫变反应体系, 并得到了中性自由基体系的基态反应都是对称性禁阻的结论。

Abstract: In this artical, a new concept of local symmetry for chemical reaction is used to produce the correlation diagrams and the curves of total energe of elec- trons for various cheletropic reactions, i.e. the odd-even selection rules for eheletropie reactions are obtained.