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化学学报
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化学学报 ›› 1982, Vol. 40 ›› Issue (6): 499-514. 上一篇    下一篇

论文

f夹心化合物的配位场理论

冯星洪1, 唐敖庆2   

  1. 1. 中国科学院上海有机化学研究所;
    2. 吉林大学, 长春
  • 投稿日期:1981-07-14 发布日期:2013-06-03
  • 通讯作者: 冯星洪

LIGAND FIELD THEORY OF f-ORBITAL SANDWICH COMPLEXES

FENG XING-HONG1, TANG AU-AIN (TANG AU-CHIN)2   

  1. 1. Shanghai Institute of Organic Chemistry, Academia Sinica;
    2. Jilin University, Changchun
  • Received:1981-07-14 Published:2013-06-03

PDF

578

被引次数

7

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D8配位场下的能级分裂.对于fn(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D8群的V系数,SO(3)-D8的S系数,SO(3)-D8的部分V系数以及fn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D8对称性的f金属络合物.

As we know, f-sandwiches have the structure of point group D8 symmetry, which is a subgroup of the 3-dimensional rotatiora group SO (3).In this paper, ligand field theory with Y partition ooefiioients from SO (3) to D8 proposed by Tang and his coworkers is used as a starting point. The splitting levels of ground terms of all posible configurations fn(n=1~13)in a D8 field are calculated. The results are obtained by means of parameters A, B and C, which are determined by MO treatments. The wave functions and Zeeman matrix elements are also discussed.