Issue 13, 1997

Fullerenes containing fused triples of pentagonal rings

Abstract

A geometrical construction is described that generates all fullerene isomers C n in which the twelve pentagonal faces are arranged in four separate fully fused triples. When such an isolated-pentagon-triple (IPT) fullerene achieves its maximal symmetry, it may belong to one of only five point groups (D 2 , D 2h , D 2d , T, T d ). At large n, the class of IPT fullerenes includes some (chiral) isomers without face spirals. A systematic search shows that although the smallest unspirallable IPT fullerenes are tetrahedral (n=380, 404, T symmetry), high symmetry is not a prerequisite: the first D 2 IPT fullerene without a spiral occurs at n=424. In the range of IPT fullerenes with up to 1000 atoms, D 2 outnumber T counter-examples to the spiral conjecture by a factor of more than 10, but unspirallable fullerenes remain only a few percent of the IPT class as a whole.

Article information

Article type
Paper

J. Chem. Soc., Faraday Trans., 1997,93, 2255-2262

Fullerenes containing fused triples of pentagonal rings

P. W. Fowler and J. E. Cremona, J. Chem. Soc., Faraday Trans., 1997, 93, 2255 DOI: 10.1039/A701271C

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