关键词: 取代反应, 量子化学, 消除反应, 立体选择性, 分子轨道理论, 亲核反应, 加成反应, 休克尔分子轨道

This paper discusses the stereoselection in organic chemistry from the point of view of the MO theory, and uses the HMO method with \s\-π interaction, considering the effect of electron density, to explain the stereoselectivity of addition reaction, elimination reaction and SN2' reaction. The theoretical predictions agree closely with the experimental results.

Key words: SUBSTITUTION REACTION, QUANTUM CHEMISTRY, ELIMINATION REACTION, STEREOSELECTIVITY, MOLECULAR ORBITAL THEORY, NUCLEOPHILIC REACTION, ADDITION REACTION, HUCKEL MOLECULAR ORBITAL