Kekulé Structure Count in Corazulenic Fullerenes
Abstract:Tiling modification in fullerene modeling can be achieved by some map operations. In this respect, sequences of classical operations, or single generalized operations, were used to obtain corannulene-like azulenic patterns. The aromaticity of such cages tessellated by "corazulenic" supra-faces is discussed in terms of several criteria. Particularly, the number of Kekulé valence structures, was considered as a rough measure of the fullerene aromaticity and implicitely of their stability. The covering was given as a -electron partition within some Kekulé valence structures. The well-known geometric index of aromaticity HOMA (harmonic oscillator model of aromaticity) enabled the evaluation of local aromaticity of the discussed supra-faces and brought evidence for several dominant Kekulé valence structures.
Document Type: Research Article
Publication date: April 1, 2007
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