高等学校化学学报 ›› 1991, Vol. 12 ›› Issue (2): 253.

• 论文 • 上一篇    下一篇

烷基对羰基反应性能影响的CNDO/2研究

黄柳书   

  1. 广东工学院化工系, 510090
  • 收稿日期:1988-12-12 出版日期:1991-02-24 发布日期:1991-02-24

A Study of the Effect of Alkyl Group on the Reactivity of Carbonyl Compounds by CNDO/2

Huang Liu-shu   

  1. Chemical Engineering Department, Guangdong Institute of Technology, Guangzhou, 510090
  • Received:1988-12-12 Online:1991-02-24 Published:1991-02-24

摘要: 对于碳-氧双键和亲核试剂的加成反应,由于负离子进攻为反应速度决定步骤,人们普遍认为羰基的反应性能主要取决于碳原子上的正电荷量,正电荷愈多亲核试剂愈易加成,全部反应也愈易进行。并认为酮的羰基的亲电能力比醛弱,这是由于酮的羰基和2个烃基相结合,如为烷基,具有给电子作用,则增加羰基碳原子电负性,降低其亲电能力。

关键词: 烷基的诱导效应, 羰基的反应性能, 前线轨道理论

Abstract: According to the results of CNDO/2, this paper considers that the positive charge of the car-boxylic carbon increases under the influence of alkyl group. This is in agreement with the rule that alkyl groups have the a-electron repulsing effect. The frontier orbital method is used to explanin that alkyl group reduces reactivity of carbonyl group.

Key words: Inductive effect of alkyl group, Reactivity of carbonyl group, Frontier orbital method

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