4f^(N-1)5d组态自旋允许与禁戒跃迁能级的研究  

Study of Spin-allowed and Spin-forbidden for 4 f^(N-1)5d Configurations

作　　者：师进生[1] 曲郸[1] 张思远[2] 

机构地区：[1]莱阳农学院 [2]中国科学院长春应用化学研究所

出　　处：《无机化学学报》2006年第3期399-402,共4页Chinese Journal of Inorganic Chemistry

基　　金：莱阳农学院基金项目资助项目(No.630417)。

摘　　要：通过稀土光谱理论,计算了三价稀土离子的4fN-15d组态能级的f与d电子间的库仑相互作用,结果表明对于重稀土元素,其自旋允许跃迁能级位置高于自旋禁戒跃迁能级位置,并且两种能级间的能级差随f电子数的增加而依次减小。对于轻稀土元素,则自旋禁戒跃迁能级位置高于自旋允许跃迁能级位置。结果很好地解释了自旋禁戒跃迁能级的光谱现象。By using the rare-earth spectroscopy theory, the coulomb interactions between f electrons and d electron of 4f^N-15d configurations of rare earth are calculated. It is found that the energy of spin-allowed levels is higher than that of spin-forbidden levels for heavy lanthanide ions （N〉7）, and the energy difference between the spin-allowed and the spin-forbidden levels decreases with the increase in N. A contrary case is obtained for the light lanthanides. All results can be used to explain the spin-forbidden levels in spectra.

关 键 词：稀土离子 自旋禁戒跃迁带 5d能级 库仑作用 

分 类 号：O614.33[理学—无机化学]