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Open AccessFeature PaperArticle

Combinatorics of Edge Symmetry: Chiral and Achiral Edge Colorings of Icosahedral Giant Fullerenes: C80, C180, and C240

School of Molecular Sciences, Arizona State University, Tempe, AZ 85287-1604, USA
Dedicated to the memory of Prof. Jun-Ichi Aihara, a pioneer in superaromaticity and aromaticity.
Symmetry 2020, 12(8), 1308; https://doi.org/10.3390/sym12081308
Received: 6 July 2020 / Revised: 17 July 2020 / Accepted: 20 July 2020 / Published: 5 August 2020
We develop the combinatorics of edge symmetry and edge colorings under the action of the edge group for icosahedral giant fullerenes from C80 to C240. We use computational symmetry techniques that employ Sheehan’s modification of Pόlya’s theorem and the Möbius inversion method together with generalized character cycle indices. These techniques are applied to generate edge group symmetry comprised of induced edge permutations and thus colorings of giant fullerenes under the edge symmetry action for all irreducible representations. We primarily consider high-symmetry icosahedral fullerenes such as C80 with a chamfered dodecahedron structure, icosahedral C180, and C240 with a chamfered truncated icosahedron geometry. These symmetry-based combinatorial techniques enumerate both achiral and chiral edge colorings of such giant fullerenes with or without constraints. Our computed results show that there are several equivalence classes of edge colorings for giant fullerenes, most of which are chiral. The techniques can be applied to superaromaticity, sextet polynomials, the rapid computation of conjugated circuits and resonance energies, chirality measures, etc., through the enumeration of equivalence classes of edge colorings. View Full-Text
Keywords: edge symmetry of giant fullerenes; edge colorings of giant icosahedral fullerenes; chirality in edge colorings of giant fullerenes; combinatorial techniques for giant fullerenes; aromaticity and superaromaticity edge symmetry of giant fullerenes; edge colorings of giant icosahedral fullerenes; chirality in edge colorings of giant fullerenes; combinatorial techniques for giant fullerenes; aromaticity and superaromaticity
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MDPI and ACS Style

Balasubramanian, K. Combinatorics of Edge Symmetry: Chiral and Achiral Edge Colorings of Icosahedral Giant Fullerenes: C80, C180, and C240 . Symmetry 2020, 12, 1308. https://doi.org/10.3390/sym12081308

AMA Style

Balasubramanian K. Combinatorics of Edge Symmetry: Chiral and Achiral Edge Colorings of Icosahedral Giant Fullerenes: C80, C180, and C240 . Symmetry. 2020; 12(8):1308. https://doi.org/10.3390/sym12081308

Chicago/Turabian Style

Balasubramanian, Krishnan. 2020. "Combinatorics of Edge Symmetry: Chiral and Achiral Edge Colorings of Icosahedral Giant Fullerenes: C80, C180, and C240 " Symmetry 12, no. 8: 1308. https://doi.org/10.3390/sym12081308

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