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Linear and zigzag polyacene series have been the subject of numerous studies because of theircontrasting electronic and stability characteristics. The correlation of the properties of these series isexamined in regard to their number of Dewar resonance structures (DS). Since resonance-theoreticmethods require algorithms for determining the number of Dewar resonance structures (DS), recursionequations for calculating DS for these series are presented for the first time. Excellent correlationsbetween DS and the absorption p-band, ionization energies, Hückel HOMO, Aihara’s reduced HOMOLUMOgap, topological resonance energy (TRE), aromatic stabilization energy (ASE), and the Klein andRandić innate degree of freedom are presented and rationalized. (doi: 10.5562/cca2292

Correlations of the Number of Dewar Resonance Structures and Matching Polynomials for the Linear and Zigzag Polyacene Series