Croatica Chemica Acta, Vol. 97 No. 3, 2024.
Original scientific paper
https://doi.org/10.5562/cca4110
General Recursion Equations for Determining the Characteristic and Matching Polynomials of Benzenoid and Related Series and Analytical Expressions for Determining the Number of Dewar Resonance Structures
Jerry Ray Dias
orcid.org/0000-0001-7772-4283
; Department of Chemistry, University of Missouri, Kansas City, MO 64110-2499, USA
*
* Corresponding author.
Abstract
Basic characteristic and matching polynomials for benzenoid series are given. Their recursion equations allow one to obtain the characteristic and matching polynomials and the number Dewar Resonance Structures (DSs) of very large members not accessible by other means. It is shown that conjugation is a stronger stabilizing effect than aromaticity. The success of topological resonance energy (TRE) as an index of aromatic stabilization energy (ASE) is because changes in conjugation energy (CE) occur in parallel with changes in aromatic stabilization energy. In the absence of ASE, CE becomes decisive.
Keywords
benzenoid hydrocarbons; aromatic resonance stabilization; conjugation energy; Dewar resonance structures; topological resonance energy; recursion equations
Hrčak ID:
322502
URI
Publication date:
20.11.2024.
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