Symmetries of closed-shell icosahedral fullerenes

被引:0
|
作者
Huang, FQ [1 ]
Tang, AC [1 ]
机构
[1] JILIN UNIV,INST THEORET CHEM,CHANGCHUN 130023,PEOPLES R CHINA
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中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Based on our Huckel calculated results for icosahedral fullerenes, the molecules C-n, with n = 60N are closed shell, where N has to satisfy the group requirements. By using the representative patch, we obtain the symmetries of pi molecular orbitals for the icosahedral fullerenes. With the aid of the relationship between C-60N and C-20N, the symmetries of pi bonding molecular orbitals are also offered.
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页码:361 / 365
页数:5
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