摘要
利用d8[(1-C2 )D 4h+C2 D 2h]全组态混合统一晶场理论模型 ,介绍了Ni(pz) 4 Cl2 型络合物的吸收光谱 ,基态ZFS、EPR参量 ,低温下的肖特基 (Schottky)热容量和顺磁磁化率的计算方法以及微机处理过程 。
In this paper,we have introduced calculated method and the process of deal with microcomputer for absorption spectra,the ZFS,EPR parameters of the ground state,the Schottky low-temperature heatcapacity,and the paramagnetic susceptibility of Ni(pz) 4Cl 2 complex,using complete configuration mixing unified crystal field theory for d 8[(1-C 2)D * 4h +C 2D * 2h ] .we have summarized general law that is fitted using microcomputer.
基金
湖南省自然科学基金
关键词
计算方法
吸收光谱
Ni(pz)4Cl2型络合物
ZFS参量
calculation method
absorption spectra
Schottky heat capacity
paramagnetic susceptibility
Ni(pz) 4Cl 2
