ZZ polynomial of regular m-tier benzenoid strips as extended strict order polynomials of associated posets. I: Proof of equivalence

DOI10.46793/MATCH.87-3.585LMaRDI QIDQ5091508zbMATH OpenOpenAlexFDO

Authors Johanna Langner, Henryk A. Witek

Publication date 26 July 2022

Published in MATCH Communications in Mathematical and in Computer Chemistry (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/2103.07271

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Chemical graph theory (05C92)

Abstract: In Part 1 of the current series of papers, we demonstrate the equivalence between the Zhang-Zhang polynomial $$ of a Kekul'ean regular $m$-tier strip $$ of length $n$ and the extended strict order polynomial $ext{E}_{mathcalS}^{circ}(n,x+1)$ of a certain partially ordered set (poset) $mathcalS$ associated with $$. The discovered equivalence is a consequence of the one-to-one correspondence between the set $leftKight$ of Kekul'e structures of $$ and the set $leftmu:mathcalSsupsetmathcalAightarrowleft[,n,ight]ight$ of strictly order-preserving maps from the induced subposets of $mathcalS$ to the interval $left[hinspacenhinspaceight]$. As a result, the problems of determining the Zhang-Zhang polynomial of $$ and of generating the complete set of Clar covers of $$ reduce to the problem of constructing the set $mathcalL(mathcalS)$ of linear extensions of the corresponding poset $mathcalS$ and studying their basic properties. In particular, the Zhang-Zhang polynomial of $$ can be written in a compact form as $$, where $extdes(w)$ and $ext{fix}_{mathcalS}(w)$ denote the number of descents and the number of fixed labels, respectively, in the linear extension $winmathcalL(mathcalS)$.

Recommendations

• ZZ polynomials of regular \(m\)-tier benzenoid strips as extended strict order polynomials of associated posets. Part 2. Guide to practical computation
• ZZ polynomials of regular \(m\)-tier benzenoid strips as extended strict order polynomials of associated posets. Part 3. Compilation of results for \(m = 1 - 6\)
• Zhang-Zhang polynomials of regular 3- and 4-tier benzenoid strips
• Zhang-Zhang polynomials of regular 5-tier benzenoid strips
• Closed-form formulas for the Zhang-Zhang polynomials of benzenoid structures: prolate rectangles and their generalizations

Cited in

(8)

• Enumeration of Clar covers of parallelogram chains
• Zhang-Zhang polynomials of regular 5-tier benzenoid strips
• Zhang-Zhang polynomials of phenylenes and benzenoid graphs
• The \(h^\ast\)-polynomial of the order polytope of the zig-zag poset
• ZZ polynomials of regular \(m\)-tier benzenoid strips as extended strict order polynomials of associated posets. Part 2. Guide to practical computation
• Clar covers and Zhang-Zhang polynomials of zigzag and armchair carbon nanotubes
• ZZ polynomials of regular \(m\)-tier benzenoid strips as extended strict order polynomials of associated posets. Part 3. Compilation of results for \(m = 1 - 6\)
• Zhang-Zhang polynomials of regular 3- and 4-tier benzenoid strips

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