Toroidal fullerenes with the Cayley graph structures

DOI10.1016/J.DISC.2011.06.018zbMATH Open1238.05068arXiv0902.1706OpenAlexW1973659659MaRDI QIDQ409345FDOQ409345

Ming-Hsuan Kang

Publication date: 13 April 2012

Published in: Discrete Mathematics (Search for Journal in Brave)

Abstract: A central issue in molecular orbital theory is to compute the HOMO-LUMO gap of a molecule, which measures the excitability of the molecule. Thus it would be of interest to learn how to construct a molecule with the prescribed HOMO-LUMO gap. In this paper, we classify all possible structures of fullerene Cayley graphs and compute their spectrum. For any natural number $n$ not divisible by three, we show there exists an infinite family of fullerene graphs with the same HOMO-LUMO gap of size $frac2pisqrt3n+O(n^{-2})$. Finally, we discuss how to realize those families in three dimensional space.

Full work available at URL: https://arxiv.org/abs/0902.1706

zbMATH Keywords

Cayley graphtoroidal graphfullereneHOMO-LUMO gap

Mathematics Subject Classification ID

Applications of graph theory (05C90) Planar graphs; geometric and topological aspects of graph theory (05C10) Graphs and abstract algebra (groups, rings, fields, etc.) (05C25) Structural characterization of families of graphs (05C75) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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Cited In (6)

• Title not available (Why is that?)
• Hyperbolic analogues of fullerenes on orientable surfaces
• Eigenvalues of Cayley graphs
• Total edge irregularity strength of toroidal fullerene
• Cyclical edge-connectivity of fullerene graphs and \((k,6)\)-cages
• Some algebraic polynomials and topological indices of generalized prism and toroidal polyhex networks

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