高等学校化学学报

高等学校化学学报 ›› 1986, Vol. 7 ›› Issue (12): 1127.

• 研究论文 • 上一篇    下一篇

卤代苯腈负离子自由基内部电子转移和脱卤反应的机理研究

叶松, 戴树珊   

  1. 云南大学化学系
  • 收稿日期:1985-08-05 出版日期:1986-12-24 发布日期:1986-12-24
  • 基金资助:

    中国科学院科学基金

A Study on the Mechanism of Intramolecular Electron Transfer and Dehalogenation of Halogenated Benzonitrile Anion Radicals

Ye Song, Dai Shushan   

  1. Department of Chemistry, Yunnan University, Kunming
  • Received:1985-08-05 Online:1986-12-24 Published:1986-12-24

PDF (PC)

摘要： 用INDO方法研究了卤代苯腈负离子自由基内部电子转移和脱卤反应的机理。结果表明,内部电子转移和脱卤是密切关联的同步过程。脱卤反应的速率决定于电子转移的难易,与最低的碳卤反键σ空轨道的能级高度相关。

Abstract: The mechanism of intramolecular electron tranffer and dehalogenation of halogenated benzonitrile anion radicals was studied by INDOmethod.Calculations show that intramolecular electron transfer and dehalogenation are synchronous processes.The rates of dehalogenation arc found to be dependent on the ease of electron transfer and the energy level of antibonding MOof C-X bond.

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