NiSiF_6·6H_2O的光学吸收谱和EPR  

THE OPTICAL SPECTRA AND THE EPR OF NiSiF 6·6H 2O

作　　者：聂真理[1] 许长谭[1] 刘希明 

机构地区：[1]山东大学物理系

出　　处：《山东大学学报（自然科学版）》1997年第1期43-48,共6页Journal of Shandong University(Natural Science Edition)

摘　　要：应用三角晶场中ｄ２（ｄ８）电子组态的强场能量矩阵元，采用完全对角化方法，建立了精确计算零场分裂Ｄ值和ｇ因子的一套方法。以此计算了ＮｉＳｉＦ６６Ｈ２Ｏ的光谱和ＥＰＲ。A method which can calculate accurately the zero field splitting parameter D and the g factor is founded by applying the energy matrix elements of the strong field coupling scheme for d 2(d 8) electron configuration in trigonal crystal field and adopting the method of complete diagonalization.We calculate the optical spectra and the EPR of NiSiF 6·6H 2O.The results agree well with the values measured experimentally.

关 键 词：三角晶场 电子组态 光谱 零场分裂 NiSiF6 

分 类 号：O561.3[理学—原子与分子物理]