THE IONIZATION ENERGIES AND ELECTRON-AFFINITIES OF ENDOHEDRAL METALLOFULLERENES MC(82) (M=SC, Y, LA) - DENSITY-FUNCTIONAL CALCULATIONS

被引：74

作者：

NAGASE, S

KOBAYASHI, K

机构：

来源：

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS | 1994年 / 16期

关键词：

D O I：

10.1039/c39940001837

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

By means of density functional calculations, the ionization energies and electron affinities of ScC82, YC82 and LaC82 are predicted and compared with those of typical empty fullerenes such as C-60 and C-70; endohedral metallofullerenes can be regarded as a sort of super atom.

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页码：1837 / 1838

页数：2

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