| Coordination field analysis of rare earth complexes with triangular symmetry |
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| 作者姓名： | 范英芳 潘大丰 杨频 |
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| 作者单位： | State Key Laboratory of Coordination Chemistry，Institute of Coordination Chemistry，Nanjing University，Nanjing 210093，China，Shanxi Academy of Agricultural Sciences，Taiyuan 030031，China，Institute of Molecular Science，Shanxi University，Taiyuan 030006，China |
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| 基金项目： | Project supported by the National Natural Science Foundation of China |
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| 摘 要： | The calculation of the complex matrixes in odd triangular symmetry was accomplished.The configurations of the coordination unit with various triangular symmetries and different ligand numbers were discussed.On the basis of the double-sphere coordination point-charge (DSCPCF) model,the detailed forms of the DSCPCF parameters Bmk and the expressions of the perturbation matrix elements in triangular field (D3,D3h,D3d) were derived.Thereby,the calculation scheme of coordination field perturbation energy of the rare earth complexes with triangular symmetry was constructed After the calculation scheme was programmed,the Stark energies of the crystalline TbAl3(BO3)4 were calculated The results were considerably close to the experimental values
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| 收稿时间： | 18 November 1996 |
Coordination field analysis of rare earth complexes with triangular symmetry |
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| Yingfang Fan,Dafeng Pan,Pin Yang.Coordination field analysis of rare earth complexes with triangular symmetry[J].Science in China(Chemistry),1997,40(4):389-396. |
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| Authors: | Yingfang Fan Dafeng Pan Pin Yang |
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| Institution: | (1) State Key Laboratory of Coordination Chemistry, Institute of Coordination Chemistry, Nanjing University, 210093 Nanjing, China;(2) Institute of Molecular Science, Shanxi University, 030006 Taiyuan, China;(3) Shanxi Academy of Agricultural Sciences, 030031 Taiyuan, China;(4) Institute of Molecular Science, Shanxi University, 030006 Taiyuan, China |
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| Abstract: | The calculation of the complex matrixes in odd triangular symmetry was accomplished.The configurations of the coordination unit with various triangular symmetries and different ligand numbers were discussed.On the basis of the double-sphere coordination point-charge (DSCPCF) model,the detailed forms of the DSCPCF parameters Bmk and the expressions of the perturbation matrix elements in triangular field (D3,D3h,D3d) were derived.Thereby,the calculation scheme of coordination field perturbation energy of the rare earth complexes with triangular symmetry was constructed After the calculation scheme was programmed,the Stark energies of the crystalline TbAl3(BO3)4 were calculated The results were considerably close to the experimental values |
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| Keywords: | triangular field rare earth complexes coordination field theory spectral analysis |
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