Analytic properties of sextet polynomials of hexagonal systems

DOI10.1007/S10910-021-01213-XMaRDI QIDQ830810zbMATH OpenOpenAlexFDO

Authors Guanru Li, Lily Li Liu, Yi Wang

Publication date 10 May 2021

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1912.03680

zbMATH Keywords

log-concavityunimodalhexagonal systemreal zerosextet polynomial

Mathematics Subject Classification ID

Graph polynomials (05C31) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Real polynomials: location of zeros (26C10) Chemical graph theory (05C92)

Abstract: In this paper we investigate analytic properties of sextet polynomials of hexagonal systems. For the pyrene chains, we show that zeros of the sextet polynomials $P_n(x)$ are real, located in the open interval $(-3-2sqrt2,-3+2sqrt2)$ and dense in the corresponding closed interval. We also show that coefficients of $P_n(x)$ are symmetric, unimodal, log-concave, and asymptotically normal. For general hexagonal systems, we show that real zeros of all sextet polynomials are dense in the interval $(-infty,0]$, and conjecture that every sextet polynomial has log-concave coefficients.

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