引用本文:
李胜, 李颖, 王晓慧, 丁传凡, 陈文武, 高毅勤, 王殿勋. B(OCH3)3电子结构的Hel紫外光电子能谱研究[J]. 物理化学学报,
1996, 12(07): 641-643.
doi:
10.3866/PKU.WHXB19960712
Citation: Li Sheng, Li Ying, Wang Xiao-Hui, Ding Chuan-Fan, Chen Wen-Wu, Gao Yi-Qin, Wang Dian-Xun. Hel Photoelectron Spectroscopic study of the Electronic Structure on B(OCH3)3[J]. Acta Physico-Chimica Sinica, 1996, 12(07): 641-643. doi: 10.3866/PKU.WHXB19960712
Citation: Li Sheng, Li Ying, Wang Xiao-Hui, Ding Chuan-Fan, Chen Wen-Wu, Gao Yi-Qin, Wang Dian-Xun. Hel Photoelectron Spectroscopic study of the Electronic Structure on B(OCH3)3[J]. Acta Physico-Chimica Sinica, 1996, 12(07): 641-643. doi: 10.3866/PKU.WHXB19960712
B(OCH3)3电子结构的Hel紫外光电子能谱研究
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关键词:
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Hel紫外光电子能谱
- / 三甲氧基硼酸盐
- / MNDO计算
English
Hel Photoelectron Spectroscopic study of the Electronic Structure on B(OCH3)3
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.
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Key words:
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Hel photoelectron spectroscopy(PES）
- / Trimethyl borate
- / MNDO calculation
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