Ni(pz)_4Br_2型络合物的光、热、磁性质的理论研究

Theoretical Research into Optical,Thermal and Magnetic properties of Ni(pz)_4Br_2 Complex

本文利用d8（D*（4h））对称性与d8（D*（2h））对称性线性叠加d8［（1－C2）D*（4h）＋C2D*（2h）］作为Ni2+离子的环境品场，借助于强场能量矩阵和全组态混合EPR理论对Ni（pz）_4Br_2型络合物的吸收光谱、肖特基（Schottky）热容量和顺碰碰化车进行了统一计算和理论分析．理论结果与实验观测值符合甚好．从而对Ni（pz）_4Br_2的光、热、磁性质作出了完整、合理的理论解释．

In this paper,by using of d8(D*(4h)) symmetry and D8(D*(2h)) symmetry linear super-imposition d8[(1 - C2)D*(2h)+ C2D*(2h)] crystal held model,with the aid of strong held energymetrices and complete configuration mixing EPR theory, a unified and strict calculation isgiven for the optical absorption spectra,the ground state ZFS,EPR paramagnetic suscep-tibility of Ni(pz)4Br2 complex.All results obtained consist with the experimental data.Acomplete and reasonable explanation for the optical,thermal and magnetic properties ofNi(pz)4Br2 complex has been presented based on the analysis of the results obtained inthis paper.