Issue 8, 1998

Eigenvalue relations for decorated trivalent polyhedra

Connections between the fullerenes and their fulleren-yne and spheriphane relatives

Abstract

The adjacency spectrum of a trivalent parent cage determines completely the spectra of a range of formally related frameworks. Analytical generating relations are given for vertex truncation, vertex insertion and ten combined decorations, leading to the prediction of π stability for several series of molecular species. Expanded cages in which bonds are replaced by even-numbered carbon chains (e.g. fulleren-ynes), are predicted to have closed π shells for a closed-shell parent, e.g. a leapfrog or truncated fullerene. Spheriphanes and related polycoronands, in which parent vertices are replaced by benzenoid rings, are predicted to have closed π shells irrespective of the π configuration of the parent.

Article information

Article type
Paper

J. Chem. Soc., Faraday Trans., 1998,94, 1019-1027

Eigenvalue relations for decorated trivalent polyhedra

P. W. Fowler and K. M. Rogers, J. Chem. Soc., Faraday Trans., 1998, 94, 1019 DOI: 10.1039/A708580J

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