Pw. Fowler et Km. Rogers, EIGENVALUE SPECTRA OF LEAPFROG POLYHEDRA, Journal of the Chemical Society. Faraday transactions (Print), 94(17), 1998, pp. 2509-2514
Citations number
14
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
Huckel magic-number rules for fullerenes, open nanotubes and polyhex t
ori, though superficially different, are shown to have a common explan
ation in eigenvalue theorems for the spectra of the trivalent polyhedr
a produced by leapfrogging (omnicapping then dualising) trivalent poly
hedral parents. A leapfrog polyhedron L, considered as a neutral all-c
arbon pi system, will have a properly closed, meta-closed or open shel
l, accordingly as the trivalent polyhedral parent P has at least one f
ace of a size not divisible by three, or has at least one face of a si
ze not divisible by six, or is an alternant with all face sizes divisi
ble by six. Non-alternant L with all face sizes divisible by six are o
f genus at least two and have meta-closed shells. Thus, leapfrog fulle
renes have closed shells, leapfrog polyhex tori have open shells and l
eapfrog infinite nanotubes are metallic in the Huckel model.