Chem. J. Chinese Universities ›› 1988, Vol. 9 ›› Issue (5): 479.

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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

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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