高等学校化学学报 ›› 1995, Vol. 16 ›› Issue (12): 1948.

• 研究简报 • 上一篇    下一篇

EuP5O14的配位场理论计算

范英芳1, 杨频1, 潘大丰2   

  1. 1. 山西大学分子科学研究所, 太原, 030006;
    2. 山西省农业科学院情报所, 太原, 030006
  • 收稿日期:1994-12-22 修回日期:1995-04-05 出版日期:1995-12-24 发布日期:1995-12-24
  • 通讯作者: 杨频
  • 作者简介:范英芳,女,35岁,博士研究生.
  • 基金资助:

    北京大学稀土材料化学及应用开放实验室研究基金

Coordination Field Theoretical Calculation of EuP5O14

FAN Ying-Fang1, YANG Pin1, PAN Da-Feng2   

  1. 1. Institute of Molecular Science, Shanxi University, Taiyuan, 030006
  • Received:1994-12-22 Revised:1995-04-05 Online:1995-12-24 Published:1995-12-24

关键词: 配位场理论, C2v对称场, 稀土配合物, EuP5O14

Abstract: By using the Double-Sphere Coordination Point-Charge Field (DSCPCF) model and the irreducible tensor operator method, thirty-five crystal field levels of the multiplets 7FJ (J=1~5) in EuP5O14are calculated and assigned according to the C2v site symmetry and to the subgroup chain relation of R(3)The calculated crystal field splitting energies are in quite good agreement with experimental data.The results of the DSCPCF model are remarkably superior to that of the simple static coordination point charge field (PCF)model etc.

Key words: Coordination field theory, C2vsite symmetry, Rare earth complex, EuP5O14

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