Skip to main content
Log in

Zhang–Zhang polynomials of cyclo-polyphenacenes

  • Original Paper
  • Published:
Journal of Mathematical Chemistry Aims and scope Submit manuscript

Abstract

The Zhang–Zhang polynomial (i.e., Clar covering polynomial) of hexagonal systems is introduced by H. Zhang and F. Zhang, which can be used to calculate many important invariants such as the Clar number, the number of Kekulé structures and the first Herndon number, etc. In this paper, we give out an explicit recurrence expression for the Zhang–Zhang polynomials of the cyclo-polyphenacenes, and determine their Clar numbers, numbers of Kekulé structures and their first Herndon numbers.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Similar content being viewed by others

References

  1. Cyvin S.J., Gutman I.: Kekulé Structures in Benzenoid Hydrocarbons, Lecture Notes in Chemistry, vol. 46. Springer, Berlin (1988)

    Google Scholar 

  2. Gutman I., Cyvin S.J.: Introduction to the Theory of Benzenoid Hydrocarbons. Springer, Berlin (1989)

    Google Scholar 

  3. I. Gutman, S.J. Cyvin (eds.), Advance in the Theory of Benzenoid Hydrocarbons, Topics Curr. Chem. 153 (Springer, Berlin, 1990)

  4. Clar E.: The Aromatic Sextet. Wiley, New York (1972)

    Google Scholar 

  5. Gutman I., Furtula B., Balaban A.T.: Algorithm for simultaneous calculation of Kekule and Clar structure counts, and Clar number of benzenoid molecules. Polyc. Arom. Comp. 26, 17–35 (2006)

    Article  CAS  Google Scholar 

  6. El-Basil S., Randić M.: Clar valence structures of benzenoid hydrocarbons. J. Chem. Soc. Faraday Trans. 2(84), 1875–1887 (1988)

    Google Scholar 

  7. Randić M., El-Basil S.: Graph theoretical analysis of large benzenoid hydrocarbons. J. Mol. Struct. (Theochem) 304, 233–245 (1994)

    Article  Google Scholar 

  8. Randić M., El-Basil S., Nikolić S., Trinajstić N.: Clar polynomials of large benzenoid hydrocarbons. J. Chem. Inf. Comput. Sci. 38, 563–574 (1998)

    Google Scholar 

  9. Hosoya H., Yamaguchi T.: Sextet polynomial: A new enumeration and proof technique for the resonance theory applied to the aromatic hydrocarbons. Tetrohedron Lett. 52, 4659–4662 (1975)

    Article  Google Scholar 

  10. Zhang H., Zhang F.: The Clar covering polynomial of hexagonal systems I. Discrete Appl. Math. 69, 147–167 (1996)

    Article  Google Scholar 

  11. Zhang H., Zhang F.: The Clar covering polynomial of hexagonal systems III. Discrete Math. 212, 261–269 (2000)

    Article  Google Scholar 

  12. Zhang H.: The Clar covering polynomial of hexagonal systems with an application to chromatic polynomials. Discrete Math. 172(1–3), 163–173 (1997)

    Article  Google Scholar 

  13. Gutman I., Gojak S., Furtula B.: Clar theory and resonance energy. Chem. Phys. Lett. 413, 396–399 (2005)

    Article  CAS  Google Scholar 

  14. Zhang H.: The Clar covering polynomial of S,T-isomers. MATCH Commun. Math. Comput. Chem. 29, 189–197 (1993)

    CAS  Google Scholar 

  15. Gutman I., Gojak S., Stanković S., Furtula B.: A concealed difference between the structure-dependence of Dewar and topological resonance energy. J. Mol. Struct. (Theochem) 757, 119–123 (2005)

    Article  CAS  Google Scholar 

  16. Gojak S., Radenković S., Kovačević R., Stankovic S., Durdević J., Gutman I.: A difference between the pi-electron properties of catafusenes and perifusenes. Polyc. Arom. Comp. 26, 197–206 (2006)

    Article  CAS  Google Scholar 

  17. Gutman I., Gojak S., Furtula B., Radenković S., Vodopivec A.: Relating total π-electron energy and resonance energy of benzenoid molecules with Kekule- and Clar-structure-based parameters. Monatsh. Chem. 137, 1127–1138 (2006)

    Article  CAS  Google Scholar 

  18. Gojak S., Gutman I., Radenković S., Vodopivec A.: Relating resonance energy with Zhang–Zhang polynomial. J. Serb. Chem. Soc. 72, 673–679 (2007)

    Article  Google Scholar 

  19. Gutman I., Borouićanin B.: Zhang–Zhang polynomial of multiple linear hexagonal chains. Z. Naturforsch. 61a, 73–77 (2006)

    Google Scholar 

  20. Zhou S., Zhang H., Gutman I.: Relations between Clar structures, Clar covers, and the sextet-rotation tree of a hexagonal system. Discrete Appl. Math. 156, 1809–1821 (2008)

    Article  Google Scholar 

  21. Iijima S.: Helical microtubules of graphitic carbon. Nature 354, 56–58 (1991)

    Article  CAS  Google Scholar 

  22. Klein D.J., Seitz W.A., Schmalzand T.G.: Symmetry of infinite tubular polymers: application to buckytubes. J. Phys. Chem. 97, 1231–1236 (1993)

    Article  CAS  Google Scholar 

  23. Klein D.J., Zhu H.: Resonance in elemental benzenoids. Discrete Appl. Math. 67, 157–173 (1996)

    Article  Google Scholar 

  24. Sachs H., Hansen P., Zheng M.: Kekule count in tubular hydrocarbons. MATCH Commun. Math. Comput. Chem. 33, 169–241 (1996)

    CAS  Google Scholar 

  25. Dobrowolsky J.Cz.: On the belt and Moebius isomers of the coronene molecule. J. Chem. Inf. Comput. Sci. 42, 490–499 (2002)

    Google Scholar 

  26. Hook K.N., Lee P.S., Nendel M.: Polyacene and cyclacene geometries and electronic structures: bond equalization, vanishing band gaps, and triplet ground states contrast with polyacetylene. J. Org. Chem. 66, 5517–5521 (2001)

    Article  Google Scholar 

  27. Choi H.S., Kim K.S.: Structures, magnetic properties, and aromaticity of cyclacenes. Angew. Chem. Int. Ed. 38(15), 2256–2258 (1999)

    Article  CAS  Google Scholar 

  28. Turker L.: Borazine embedded cyclacenesa theoretical study. J. Mol. Struct. (THEOCHEM) 531, 401–405 (2000)

    Article  CAS  Google Scholar 

  29. Misra A., Klein D.J.: Characterization of cyclo-polyphenacenes. J. Chem. Inf. Comput. Sci. 42, 1171–1175 (2002)

    CAS  Google Scholar 

  30. Wang L., Zhang F., Zhao H.: On the ordering of benzenoid chains and cyclo-polyphenacenes with respect to their numbers of Clar aromatic sextets. J. Math. Chem. 38, 293–309 (2005)

    Article  CAS  Google Scholar 

  31. I. Gutman, S.J. Cyvin (eds.), Advance in the Theory of Benzenoid Hydrocarbons, Topics Curr. Chem. 153 (Springer, Berlin, 1990)

  32. Herndon W.C.: Thermochemical parameters for benzenoid hydrocarbons. Thermochim. Acta 8, 225–237 (1974)

    Article  CAS  Google Scholar 

  33. N. Trinajstić, Chemical Graph Theory, 2nd edn. (CRC Press, 1992)

Download references

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to Hanyuan Deng.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Guo, Q., Deng, H. & Chen, D. Zhang–Zhang polynomials of cyclo-polyphenacenes. J Math Chem 46, 347–362 (2009). https://doi.org/10.1007/s10910-008-9466-4

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s10910-008-9466-4

Keywords

Navigation