论文部分内容阅读
Fukui的前线轨道(FMO)理论应用于交替烃的反应活性预测,给出极好的结果和成功;但这一理论在非共轭体系有机反应活性的预测应用,至今未被引起重视。事实如我们前文所提出的:醛、酮的亲核加成,烯烃的亲电加成,醇、胺、羧酸的酸、碱性判断等反应性均可采用反应的E_(HOMO)(或LUMO)和反应试剂的E_(HOMO)(或LUMO)间的能差进行判断。从本文和前文讨论的许多实验事实说明,利用FMO的能量结合基团的微扰作用,判断有机同系物反应的反应性具有简便、实用和普遍的指导意义。
Fukui’s frontier orbital (FMO) theory is applied to predict the reactivity of alternative hydrocarbons and gives excellent results and successes. However, the application of this theory in predicting the organic reactivity of unconjugated systems has so far received little attention. The fact is as we mentioned earlier: the nucleophilic addition of aldehydes and ketones, the electrophilic addition of alkenes, the reactivity of alcohols, amines, carboxylic acids and alkalinity can be achieved by the reaction of HOMO (or LUMO), and E_ (HOMO) (or LUMO) of the reaction reagent. From the experimental data presented herein and many of the previous discussions, it has been shown that the reactivity of organic homologues using the perturbation of FMO energy binding groups is a convenient, practical and general guideline.