高等学校化学学报

高等学校化学学报 ›› 1982, Vol. 3 ›› Issue (S1): 97.

• 研究论文 • 上一篇    下一篇

d3(Re+4)和d4(Os+4)组态晶体能谱的配位场理论分析

韩延德, 李伯符, 朱玉奎, 孙家锺   

  1. 吉林大学理论化学研究所
  • 收稿日期:1981-09-09 出版日期:1982-12-31 发布日期:1982-12-31

THE ANALYSIS OF THE LIGAND FIELD THEORY OF CRYSTAL SPECTRUM OF d3 (Re+4) AND d4(Os+4) CONFIGURATION

Han Yande, Li Baifu, Zhu Yukui, Sun Chia-chung   

  1. Institute of Theoretical Chemistry, Jilin University, Changchun
  • Received:1981-09-09 Online:1982-12-31 Published:1982-12-31

PDF (PC)

摘要：

本文根据文献[4]提出的配位场理论方法,采用SLГSГtτ方案,对晶体K2PtCl6中Re+4(5d3)和Os+4(5d4)离子能谱进行全分析,考虑了全部d3和d4组态的静电作用能,正八面体场势能和旋轨偶合作用能,计算了能级随参数变化曲线,能谱理论计算结果与文献[9-10]强场方案计算结果一致,但改正了前人对实验能谱指认不正确之处。

Abstract:

In this paper, a theoretical analysis of the spectra for the ions Re+4 (5d3) and Os+4(5d4) in K2PtCl6 crystal is performed by means of ligand field method proposed by Tang et al. Also, in the SLГSГtτ scheme of octahedral symmetry, the energy curves in terms of crystal field and spin-orbital parameters are worked out. The results of our analysis are in accord with those obtained via a strong field treatment by Dorain[9-10], but some spectra terms which have been inadequately assigned by Dorain[9-l0] are corrected.

TrendMD: