Skip to main content
SpringerLink
Log in

Partition of π-electrons between faces of polyhedral carbon aggregates

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

We report for the trivalent regular and semiregular polyhedra (three Platonic and seven Archimedean carbon polyhedra) the π-electron partition between rings of various sizes based on considering all their resonance structures. It was found that small odd-membered (3-and 5-membered) faces are assigned a lower share of π-electrons than that corresponding to equipartition (i.e., 1/3 of an electron for carbon atoms shared between three rings). In contrast, 4-membered rings obtain a larger share of π-electrons than that corresponding to equipartition.

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

Access this article

Log in via an institution

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

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. Randić M. (2003). Chem. Rev. 103: 3449

    Article  Google Scholar 

  2. Randić M., Balaban A.T. (2004). Polycyclic Arom. Comp. 24: 173

    Article  Google Scholar 

  3. Balaban A.T., Randić M. (2004). J. Chem. Inf. Comput. Sci. 44: 50

    Article  CAS  Google Scholar 

  4. Balaban A.T., Randić M. (2004). New J. Chem. 28: 800

    Article  CAS  Google Scholar 

  5. Vukicević D., Randić M., Balaban A.T. (2004) J. Math. Chem. 36: 271

    Article  Google Scholar 

  6. Balaban A.T., Randić M. (2004). J. Chem. Inf. Comput. Sci. 44:1701

    Article  CAS  Google Scholar 

  7. Balaban A.T., Randić M. (2005). J. Math. Chem. 37: 443

    Article  CAS  Google Scholar 

  8. A.T. Balaban, B. Furtula, I. Gutman and R. Kovacević, Polycyclic Arom. Comp. (in press).

  9. M. Randić, H. Kroto and D. Vukicević, J. Chem. Inf. Model. (in press).

  10. A.T. Balaban, MATCH, Commun. Math. Comput. Chem. 24 (1989) 29.

  11. I. Gutman, A.T. Balaban, M. Randic and C. Kiss-Tóth, Z. Naturforsch. 60a (2005) 171.

  12. Randić M., Balaban A.T. (2006). J. Chem. Inf. Model. 46: 57

    Article  Google Scholar 

  13. Balaban A.T., Bonchev D. (2005). MATCH, Commun. Math. Comput. Chem. 54: 137

    CAS  Google Scholar 

  14. Rajtmajer S.M., Milicević A., Trinajstić N., Randić M., Vikicević D. (2006). J. Math. Chem. 39: 119

    Article  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Texas A&M University at Galveston, 5007 Ave. U, Galveston, TX, 77551, USA

    Alexandru T. Balaban

  2. National Institute of Chemistry, Hajdrihova 19, Ljubljana, Slovenia

    Milan Randić

  3. Department of Mathematics, University of Split, Nikole Tesle 12, HR-21000, Split, Croatia

    Damir Vukičević

Authors
  1. Alexandru T. Balaban
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Milan Randić
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Damir Vukičević
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Alexandru T. Balaban.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Balaban, A.T., Randić, M. & Vukičević, D. Partition of π-electrons between faces of polyhedral carbon aggregates. J Math Chem 43, 773–779 (2008). https://doi.org/10.1007/s10910-007-9230-1

Download citation

  • Received:

  • Revised:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s10910-007-9230-1

Keywords

Search

Navigation