高等学校化学学报

高等学校化学学报 ›› 1992, Vol. 13 ›› Issue (6): 834.

• 论文 • 上一篇    下一篇

[2+4]光环加成中的非绝热相互作用

李象远, 何福城   

  1. 成都科技大学化学系, 成都, 610065
  • 收稿日期:1991-04-09 出版日期:1992-06-24 发布日期:1992-06-24
  • 通讯作者: 何福城
  • 基金资助:

    国家自然科学基金

Nonadiabatic Interactions in [2+4] Photocycloadditions

LI Xiang-yuan, HE Fu-cheng   

  1. Department of Chemistry, Chengdu University of Science and Technology, Chengdu, 610065
  • Received:1991-04-09 Online:1992-06-24 Published:1992-06-24

PDF (PC)

被引次数

1

关键词: 光环加成, 非绝热偶合, 跃迁几率

Abstract: The S1→S0 nonadiabatic coupling terms are calculated for different reaction modes of concerted [2+4] photocycloadditions in the Huckel-Hubbard approximation.The nonadiabatic transition probabilities are estimated by means of the Landau-Zener model as well.The calculated nonadiabatic coupling terms and transition probabilities show clearly the differences between the nonadiabatic interactions of the two reaction modes s+a (or a+s) and s+s.With these calculated results the stereospecifities in concerted [2+4] photocycloadditions are correctly predicted.

Key words: Photocycloaddition, Nonadiabatic coupling, Transition probability.

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