Abstract
Radical benzenoid structures, i.e., those which cannot have all electrons paired, are known to possess much larger structure counts than closed-shell benzenoids of similar size. Building on our previous work, we report methods for calculating eigenvectors, eigenvalues, and structure counts for benzenoid radicals, diradicals, and radicals of higher multiplicity. When a series of such species is constructed by repeated addition of an aufbau unit, structure counts can usually be expressed as a polynomial in one or two variables. Structure counts for radical series generated by repeated circumscribing, however, cannot.
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Cash, G.G., Dias, J.R. Computation, Properties and Resonance Topology of Benzenoid Monoradicals and Polyradicals and the Eigenvectors Belonging to Their Zero Eigenvalues. Journal of Mathematical Chemistry 30, 429–444 (2001). https://doi.org/10.1023/A:1015194511140
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DOI: https://doi.org/10.1023/A:1015194511140