TY - JOUR
T1 - Hexagonal flakes as fused parallelograms
T2 - A determinantal formula for Zhang-Zhang polynomials of the O(2, m, n) benzenoids
AU - He, Bing Hau
AU - Langner, Johanna
AU - Witek, Henryk Arnold
N1 - Publisher Copyright:
© 2021 The Chemical Society Located in Taipei & Wiley-VCH GmbH
PY - 2021/2
Y1 - 2021/2
N2 - We report a determinantal formula for the Zhang-Zhang polynomial of the hexagonal flake O(2, m, n) applicable to arbitrary values of the structural parameters m and n. The reported equation has been discovered by extensive numerical experimentation and is given here without a proof. Our combinatorial analysis performed on a large collection of isostructural O(2, m, n) benzenoids yielded a ZZ polynomial formula corresponding to the determinant of a certain 2 × 2 matrix referred to by us as the generalized John–Sachs path matrix, because of the striking structural similarity with the original path matrices introduced by the John–Sachs theory of Kekulé structures. The presented conjecture hints at the existence of a generalization of the John–Sachs theory applicable to characterization and enumeration of Clar covers.
AB - We report a determinantal formula for the Zhang-Zhang polynomial of the hexagonal flake O(2, m, n) applicable to arbitrary values of the structural parameters m and n. The reported equation has been discovered by extensive numerical experimentation and is given here without a proof. Our combinatorial analysis performed on a large collection of isostructural O(2, m, n) benzenoids yielded a ZZ polynomial formula corresponding to the determinant of a certain 2 × 2 matrix referred to by us as the generalized John–Sachs path matrix, because of the striking structural similarity with the original path matrices introduced by the John–Sachs theory of Kekulé structures. The presented conjecture hints at the existence of a generalization of the John–Sachs theory applicable to characterization and enumeration of Clar covers.
KW - Clar covering polynomials
KW - Clar covers
KW - ZZ polynomials
KW - hexagonal flakes
UR - http://www.scopus.com/inward/record.url?scp=85093652475&partnerID=8YFLogxK
U2 - 10.1002/jccs.202000420
DO - 10.1002/jccs.202000420
M3 - Article
AN - SCOPUS:85093652475
SN - 0009-4536
VL - 68
SP - 1231
EP - 1242
JO - Journal of the Chinese Chemical Society
JF - Journal of the Chinese Chemical Society
IS - 7
ER -