大学化学 >> 2016, Vol. 31 >> Issue (8): 60-65.doi: 10.3866/PKU.DXHX201510006

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几种经典有机反应的分子轨道描述

许薇,许家喜*()   

  • 发布日期:2016-08-31
  • 通讯作者: 许家喜 E-mail:jxxu@buct.edu.cn

Molecular Orbital Description on Several Classical Organic Reactions

Wei XU,Jia-Xi XU*()   

  • Published:2016-08-31
  • Contact: Jia-Xi XU E-mail:jxxu@buct.edu.cn

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摘要：

用分子轨道来描述有机反应的过程对于正确理解有机反应的机理非常重要，分子轨道可以清楚地描述出反应的选择性和立体化学等信息。本文讨论了脂肪和芳香亲核取代、芳香亲电取代、加成和消除等几种经典有机化学反应过程的分子轨道描述。

关键词: 有机反应, 分子轨道, 亲核取代, 加成, 消除

Abstract:

It is very important to describe organic reaction processes with molecular orbitals, especially frontier orbitals, for correct and completely understanding of organic reaction mechanisms. Molecular orbital description can provide useful information on selectivity and stereochemistry of organic reactions. Molecular orbital descriptions on several classic organic reactions, including aliphatic and aromatic nucleophilic substitutions, electrophilic aromatic substitution, addition and elimination, are discussed.

Key words: Organic reaction, Molecular orbital, Nucleophilic substitution, Addition, Elimination