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
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
基金
Project supported by the National Natural Science Foundation of China