FULLY INORGANIC (CARBON-FREE) FULLERENES - THE BORON-NITROGEN CASE

被引:42
作者
SILAGHIDUMITRESCU, I
HAIDUC, I
SOWERBY, DB
机构
[1] UNIV BABES BOLYAI,FAC CHIM,R-3400 CLUJ NAPOCA,ROMANIA
[2] UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
关键词
D O I
10.1021/ic00069a034
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
Closed cages containing only boron and nitrogen atoms can be constructed from four-membered B2N2 rings and six-membered B3N3 rings. The ring-spiral algorithm applied to such cages and Huckel molecular orbital calculations suggest that a series of stable ''accordion-shaped'' cages, with the general formula B12+3nN12+3n can exist. In addition, on the basis of different principles, a B22N22 Cage seems also possible.
引用
收藏
页码:3755 / 3758
页数:4
相关论文
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