高等学校化学学报 ›› 1989, Vol. 10 ›› Issue (11): 1114.

• 研究论文 • 上一篇    下一篇

3-羟基对氧萘酮分子内激发态质子转移反应位能面和机理的研究

封继康   

  1. 吉林大学化学系
  • 收稿日期:1988-02-23 出版日期:1989-11-24 发布日期:1989-11-24
  • 通讯作者: 封继康

The Potential Energy Surface and Mechanism of Intramolecular Excited-State Proton Transfer of 3-Hydroxychromone

Feng Jikang   

  1. Department of Chemistry, Jilin Univerity, Changchun
  • Received:1988-02-23 Online:1989-11-24 Published:1989-11-24

摘要: 用MNDO和INDO-SCF-CI法研究了3-羟基对氧萘酮分子内激发态质子转移反应基态和激发态的位能面,求得相应能垒△E1、△E2和荧光移位,并对光化学反应机理进行了探讨.

关键词: 激发态, 质子转移, 位能面

Abstract: With the use of MNDOand.INDO-SCF-CImethods, the potential energy surface and the mechanism of intramolecular excited-state proton transfer of 3-hydroxychromone were studied.The corresponding energy barriers and the fluorescence shift were obtained.

Key words: Excited state, Proton transfer, Potential energy surface

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