物理化学学报 >> 1996, Vol. 12 >> Issue (07): 641-643.doi: 10.3866/PKU.WHXB19960712

研究简报 上一篇    下一篇

B(OCH3)3电子结构的Hel紫外光电子能谱研究

李胜,李颖,王晓慧,丁传凡,陈文武,高毅勤,王殿勋   

  1. 北京分子动态和稳态国家重点实验室，北京分子反应动力学国家重点实验室，中国科学院化学研究所，北京 100080
  • 收稿日期:1995-03-25 修回日期:1996-01-31 发布日期:1996-07-15
  • 通讯作者: 王殿勋

Hel Photoelectron Spectroscopic study of the Electronic Structure on B(OCH3)3

Li Sheng,Li Ying,Wang Xiao-Hui,Ding Chuan-Fan,Chen Wen-Wu,Gao Yi-Qin,Wang Dian-Xun   

  1. State Key Laboratory for structural Chemistry of Unstable Stable Species,State Key Laboratory of Molecular Reaction Dynamics,Institute of Chemistry,Academia Sincia,Beijing 100080
  • Received:1995-03-25 Revised:1996-01-31 Published:1996-07-15
  • Contact: Wang Dian-Xun

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关键词: Hel紫外光电子能谱, 三甲氧基硼酸盐, MNDO计算

Abstract:

HeI photoelectron spectrum of B(OCH3)3 is presented in this paper. The assignment of the spectrum has been also done by an analysis of the intensity of the spectrum bands and the optimized MNDO molecular orbital calculation on B(OCH3)3 molecule. The split showing a 1.08eV of the bands at the lowest two ionization potentials (IPs) was assigned to the Jahn-Teller split of the doubly degenerate oxygen lone-pair orbitals. And the splits showing 0.42eV and 0.38eV on the above-mentioned hands were considered as the result of spin-orbital interaction. Therefore the this PES study provides an exceedingly experimental example to testify the Jahn-Teller effect and the spin-orbital interaction splitting.

Key words: Hel photoelectron spectroscopy(PES）, Trimethyl borate, MNDO calculation