物理化学学报 >> 1992, Vol. 8 >> Issue (06): 809-813.doi: 10.3866/PKU.WHXB19920618

研究简报 上一篇    下一篇

分子内孤对(n)轨道间相互作用的又一例证——某些杂氮环已烷系列化合物的气相HeIα紫外光电子能谱(UPS)研究

王殿勋; 王东; 赵恒奇; 唐青; 徐广智   

  1. 中国科学院化学研究所,北京 100080
  • 收稿日期:1991-07-08 修回日期:1991-12-09 发布日期:1992-12-15
  • 通讯作者: 王殿勋

An Example of Lone Pair Orbital and Their Interaction——Gas Phase Ultravlolet Photoelctron Spectroscople Study of some Nitrogen Heterocyclle Compounds

Wang Dian-Xun; Wang Dong; Zhao Heng-Qi; Tang Qing; Xu Guang-Zhi   

  1. Institute of Chemistry, Academia Sinica, Beijing 100080
  • Received:1991-07-08 Revised:1991-12-09 Published:1992-12-15
  • Contact: Wang Dian-Xun

关键词: UPS, 杂氮环乙烷, 轨道相互作用

Abstract: Ione pair orbital and their interaction in some nitrogen heterocyclic compound series have been interpreted in terms of through-space and through-bond mechanisms through the study of their gas phase ultraviolet photoelectron spectrocopy. The HAM/3 molecular orbital calculations on each molecule of the studied series were also carried out. The order of experimental vertical ionization potentials of the molecules can be not only predicated, but the spacing of through-space and through-bond interactions splitting of the studied compounds are consistent with the results of HAM/3 calculations.

Key words: Ultraviolet photoelectron, Spectroscopy, Heterocycles, Orbital interaction