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本文利用d8(D4h)全组态混合统一晶场理论对Ni(pz)Br2型化合物的吸收光谱、基态ZFS、EPR参量、低温下的Schottky热容量和顺磁磁化率进行了统一的计算和理论分析,理论结果与实验观测值符合甚好。从而对Ni(Pz)4Br2的光、热、磁性质作出了完整的、合理的理论解释。
In this paper, the absorption spectra, ground state ZFS, EPR parameters, Schottky heat capacity and paramagnetic susceptibility of Ni (pz) Br2-type compound have been calculated and analyzed theoretically by using the all-mixed mixed crystal field theory of d8 (D4h) The theoretical results are in good agreement with the experimental observations. Thus, a complete and reasonable theoretical explanation of the light, heat and magnetic properties of Ni (Pz) 4Br2 has been made.