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应用唐敖庆等发展的配位场理论方法,从旋转群一点群的偶合V系数出发,研究了f夹心化合物在D_8配位场下的能级分裂.对于f~n(n=1～13)所有组态的基谱项进行了讨论,计算结果用三个参数A,B,C来表示,这些参数用MO计算来确定.计算了D_8群的V系数,SO(3)-D_8的S系数,SO(3)-D_8的部分V系数以及f~n组态各基谱项的分裂能级,波函数和Zeeman矩阵元.其结果不仅适用于f夹心化合物,而且适用于具有D_8对称性的f金属络合物.
Based on the coordination field theory developed by Tang Aoqing et al., The energy level splitting of f-sandwich compounds under the D_8 coordination field was studied based on the coupled V-factor of a rotating group. For all n The configuration of the fundamental spectrum terms are discussed, and the calculation results are expressed by three parameters A, B and C. These parameters are determined by using the MO calculation.The V coefficient of the D_8 group, the S coefficient of the SO (3) -D_8, The partial V coefficients of SO (3) -D_8 and the splitting energy levels, wave functions and Zeeman matrix elements of the fundamental terms of f ~ n configuration are also obtained.The results are not only applicable to f sandwich compounds but also to f Metal Complex.