摘要
本文介绍了含有次级作用项的分子轨道的微扰方程,从而运用前线轨道能量和系数分析了次级效应即不直接成键原子间的相互作用对 Diels-Alder 反应的区域选择性的控制作用。
The paper introduced the perturbation molecular orbital (PMO) equa- tion,which contains the secondary orbtital effects.The control effects of the secondary orbtital effects i.e.,interactions among atoms which do not bond each other directly,on the regioselectivities were analysed by the en- ergy and orbital coefficients of the frontier molecular orbits in Diels-Alder reactions.
出处
《安徽大学学报（自然科学版）》
CAS
1992年第4期73-78,共6页
Journal of Anhui University(Natural Science Edition)
关键词
次级效应
区域选择
双烯合成
secondary orbital effect
regioselectivity
diels-Alder reaction
