高等学校化学学报

高等学校化学学报 ›› 1988, Vol. 9 ›› Issue (5): 479.

• 论文 • 上一篇    下一篇

KTbP4O12的能级结构及配位场理论计算

阚秋斌1, 白玉白1, 赵永年1, 李铁津1, 侯卫星2   

  1. 1. 吉林大学化学系;
    2. 汕头大学化学系
  • 收稿日期:1986-12-11 出版日期:1988-05-24 发布日期:1988-05-24
  • 通讯作者: 白玉白

Energy Level Structure of KTbP4O12 and Ligand Field Theoretical Calculation

Kan Qiubin1, Bai Yubai1, Zhao Yongnian1, Li Tiejin1, Hou Weixing2   

  1. 1. Department of Chemistry, Jilin University, Changchun;
    2. Department of Chemistry, Shantou University, Shantou
  • Received:1986-12-11 Online:1988-05-24 Published:1988-05-24

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摘要： 本文报告了77K下KTbP4O12晶体中Tb3+离子5D4-7FJ(J=0～6)跃迁的荧光光谱,并由此得到5D4和7FJ的Stark能级。运用配位场理论对基态谱项7FJ的Stark能级进行拟合计算,均方根差10cm-1,最大偏差24cm-1。

关键词: KTbP4O12, Stark能级, 拟合计算

Abstract: In the present work, the fluorescence spectra of single crystal of KTbP4O12 have been measured at 77K. Most of the observed transitions were identified and the energy level structure of the 7F multiplet was also defined. The coordination of Tb3+ ion by oxygen atoms is eight-fold with the geometry of a slightly distorted square antiprism. In other words, the local symmetry of Tb3+ ion in KTbP4O12 belongs to C4v. There is the same symmetry of Tb3+ ion in TbP5O14. So the symbols of Stark energy levels are of the same as in TbP5O14. The ligand field calculation was performed for such symmetry and gave a respectab-le to fit the observed Stark splitting of 7FJ(J = 0~6) multiplet.The comparison between the experimental and the calculated energy level shows that the RMSdeviation and the maximum deviation are 10cm-1 and 24cm-1, respectively.

Key words: KTbP4O12, Stark energy level, Calculation by fitting

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