B(OCH3)3电子结构的Hel紫外光电子能谱研究

人们知道，Hel紫外光电子能借（PES）提供研究分子轨道能量、能级次序、成键类型以及由光电子峰强度所反映的电离轨道特性等信息是其他手段没有的，因而PES技术已广泛地用于众多化合物分子电子结构的研究中．有机础化合物由于它们高的反应活性作为合成试剂而信受人们重视［‘－

HeI Photoelectron Spectroscopic Study of the Electronic Structure on B(OCH_3)_3

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 exceedirlgly experimental example to testify the Jahn-Teller effect and the spin-orbital interaction splitting.