CdCl_2∶V^(2+)和CdI_2∶V^(2+)的g因子和零场分裂研究

Investigations of the g Factors and ZFS in Cdcl 2:V 2+ and CdI 2:V 2+

研究了ＣｄＣＬ２∶Ｖ２＋和ＣｄＩ２∶Ｖ２＋的ＥＰＲｇ因子和零场分裂Ｄ。在计算中既考虑了中心过渡金属离子ＳＯ耦合作用，也考虑了配体ＳＯ耦合作用的贡献。结果表明，对某些共价性和配体ＳＯ耦合系数大的络合物，在研究其ＥＰＲ性质时应考虑到双ＳＯ耦合作用的共同贡献。

EPR parameters g factors and zero field splittings(ZFS) for V 2+ ions in the CdCl 2:V 2+ and CdI 2:V 2+ crystals have been stuted.In the calculation,contributions of spin orbit (SO) couplings from not only the central transition metal ions but also the ligands are considered.The results suggest that the calculation of EPR prameters for sone conplexes possessing strong cobalence and large SO coupling constant of ligands should use the two SO coupling parameter model.