Eigenvalue spectra of leapfrog polyhedra

被引:17
作者
Fowler, PW [1 ]
Rogers, KM [1 ]
机构
[1] Univ Exeter, Dept Chem, Exeter EX4 4QD, Devon, England
来源
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS | 1998年 / 94卷 / 17期
关键词
D O I
10.1039/a804542i
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
Huckel magic-number rules for fullerenes, open nanotubes and polyhex tori, though superficially different, are shown to have a common explanation in eigenvalue theorems for the spectra of the trivalent polyhedra produced by leapfrogging (omnicapping then dualising) trivalent polyhedral parents. A leapfrog polyhedron L, considered as a neutral all-carbon pi system, will have a properly closed, meta-closed or open shell, accordingly as the trivalent polyhedral parent P has at least one face of a size not divisible by three, or has at least one face of a size not divisible by six, or is an alternant with all face sizes divisible by six. Non-alternant L with all face sizes divisible by six are of genus at least two and have meta-closed shells. Thus, leapfrog fullerenes have closed shells, leapfrog polyhex tori have open shells and leapfrog infinite nanotubes are metallic in the Huckel model.
引用
收藏
页码:2509 / 2514
页数:6
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