Directed tree structure of the set of Kekulé patterns of generalized polyhex graphs
A perfect matching or linear factor \(k\) of a graph \(G\) is a set of pairwise disjoint edges of \(G\) that cover all vertices; in the case that \(G\) is a hexagonal system (or a polyhex graph) \(k\) is called a Kekulé pattern and an edge \(k\) is said to be a \(k\)-double bond, an other edge of \(G\) which does not belong \(k\) is said to be a \(k\)-single bond. The sets of three circularly arranged double bonds in a hexagon of a given \(k\) are called proper and improper sextests, respectively, and a sextet rotation \(R\) is defined as a simultaneous rotation of all the proper sextets of a given \(k_ i\) into improper sextets to give another Kekulé pattern \(k_ j\). The sextet rotation graph \(D(G)\) of \(G\) is a digraph whose vertices are the Kekulé patterns of \(G\), and there is an arc from \(k_ i\) to \(k_ j\) in \(D(G)\) iff \(k_ i@> R>> k_ j\). The structure of \(D(G)\) is investigated, and it is already known that \(D(G)\) of any polyhex graph \(G\) is a directed tree and the root of \(D(G)\) corresponds to the root Kekulé pattern which is a pattern with no proper sextet. For generalized polyhex graphs \(G\), which are members of the set containing not only polyhex graphs but also those changed polyhex graphs with holes, holds that \(D(G)\) is a directed \(r\)-tree \((r\geq 1)\), i.e. a directed forest with \(r\) roots. This result for generalized polyhex graphs \(G\) brings about some difficulty to investigated the further properties and therefore in the present paper the so-called generalized proper (improper) sextet [or the proper (improver) \(g\)- sextet] is introduced. The properties of these \(g\)-sextets are studied and in analogous manner the concepts of the \(g\)-sextet rotation, of the \(g\)-sextet rotation graph \(D(G)\) and of the root Kekulé pattern are defined for such \(G\). Then the following main result is proved (Theorem 11): Let \(G\) be a generalized polyhex graph with at least one Kekulé pattern. Then \(D(G)\) is a directed tree. The root of \(D(G)\) corresponds to the root Kekulé pattern of \(G\). Finally, by these results, an error in a proof of the Ohkami-Hosoya conjecture about a one-to-one correspondence between Kekulé and sextet patterns of a polyhex graph is corrected.
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