Physics of the Solid State

, Volume 51, Issue 3, pp 645–648 | Cite as

Thermal stability of cubane C8H8

  • M. M. Maslov
  • D. A. Lobanov
  • A. I. Podlivaev
  • L. A. Openov
Fullerenes and Atomic Clusters

Abstract

The reasons for the anomalously high thermal stability of cubane C8H8 and the mechanisms of its decomposition are studied by numerically simulating the dynamics of this metastable cluster at T = 1050–2000 K using a tight-binding potential. The decomposition activation energy is found from the temperature dependence of the cubane lifetime obtained from the numerical experiment; this energy is fairly high, E a = 1.9 ± 0.1 eV. The decomposition products are, as a rule, either C6H6 and C2H2 molecules or the isomer C8H8 with a lower energy.

PACS numbers

36.40.-c 36.40.Qv 71.15.Pd 

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. 1.
    P. E. Eaton and T. W. Cole, Jr., J. Am. Chem. Soc. 86, 962 (1964).CrossRefGoogle Scholar
  2. 2.
    M. A. White, R. E. Wasylishen, P. E. Eaton, Y. Xiong, K. Pramod, and N. Nodari, J. Phys. Chem. 96, 421 (1992).CrossRefGoogle Scholar
  3. 3.
    B. D. Kybett, S. Carroll, P. Natalis, D. W. Bonnel, J. L. Margrave, and J. L. Franklin, J. Am. Chem. Soc. 88, 626 (1966).CrossRefGoogle Scholar
  4. 4.
    P. E. Eaton, J. Li, and S. P. Upadhyaya, J. Org. Chem. 60, 966 (1995).CrossRefGoogle Scholar
  5. 5.
    P. E. Eaton, Angew. Chem., Int. Ed. Engl. 31, 1421 (1992).CrossRefGoogle Scholar
  6. 6.
    A. I. Podlivaev and L. A. Openov, Pis’ma Zh. Éksp. Teor. Fiz. 81(10), 656 (2005) [JETP Lett. 81 (10), 533 (2005)].Google Scholar
  7. 7.
    L. A. Openov and A. I. Podlivaev, Pis’ma Zh. Éksp. Teor. Fiz. 84(2), 73 (2006) [JETP Lett. 84 (2), 68 (2006)].Google Scholar
  8. 8.
    H.-D. Martin, T. Urbanek, P. Pföhler, and R. Walsh, J. Chem. Soc., Chem. Commun., No. 14, 964 (1985).Google Scholar
  9. 9.
    Z. Li, and S. L. Anderson, J. Phys. Chem. A 107, 1162 (2003).CrossRefGoogle Scholar
  10. 10.
    Ç. Kililç, T. Yildirim, H. Mehrez, and S. Ciraci, J. Phys. Chem. A 104, 2724 (2000).CrossRefGoogle Scholar
  11. 11.
    J. Zhao and J. P. Lu, Phys. Lett. A 319, 523 (2003).CrossRefADSGoogle Scholar
  12. 12.
    A. I. Podlivaev, M. M. Maslov, and L. A. Openov, Inzh. Fiz., No. 5, 42 (2007).Google Scholar
  13. 13.
  14. 14.
    L. A. Openov and A. I. Podlivaev, Fiz. Tverd. Tela (St. Petersburg) 50(6), 1146 (2008) [Phys. Solid State 50 (6), 1195 (2008)].Google Scholar
  15. 15.
    I. V. Davydov, A. I. Podlivaev, and L. A. Openov, Fiz. Tverd. Tela (St. Petersburg) 47(4), 751 (2005) [Phys. Solid State 47 (4), 778 (2005)].Google Scholar
  16. 16.
    L. A. Openov and A. I. Podlivaev, Pis’ma Zh. Éksp. Teor. Fiz. 84(4), 217 (2006) [JETP Lett. 84 (4), 190 (2006)].Google Scholar
  17. 17.
    L. A. Openov, I. V. Davydov, and A. I. Podlivaev, Pis’ma Zh. Éksp. Teor. Fiz. 85(7), 418 (2007) [JETP Lett. 85 (7), 339 (2007)].Google Scholar
  18. 18.
    I. V. Davydov, A. I. Podlivaev, and L. A. Openov, Pis’ma Zh. Éksp. Teor. Fiz. 87(7), 447 (2008) [Phys. Solid State 87 (7), 385 (2008)].Google Scholar
  19. 19.
    C. Xu and G. E. Scuseria, Phys. Rev. Lett. 72, 669 (1994).CrossRefADSGoogle Scholar
  20. 20.
    J. Jellinek and A. Goldberg, J. Chem. Phys. 113, 2570 (2000).CrossRefADSGoogle Scholar
  21. 21.
    K. P. Katin, A. I. Podlivaev, and L. A. Openov, Inzh. Fiz., No. 3, 55 (2007).Google Scholar
  22. 22.
    C. E. Klots, Z. Phys. D: At., Mol. Clusters 20, 105 (1991).CrossRefGoogle Scholar
  23. 23.
    J. V. Andersen, E. Bonderup, and K. Hansen, J. Chem. Phys. 114, 6518 (2001).CrossRefADSGoogle Scholar
  24. 24.
    A. I. Podlivaev and L. A. Openov, Fiz. Tverd. Tela (St. Petersburg) 48(11), 2104 (2006) [Phys. Solid State 48 (11), 2226 (2006)].Google Scholar
  25. 25.
    A. I. Podlivaev and L. A. Openov, Fiz. Tverd. Tela (St. Petersburg) 50(5), 954 (2008) [Phys. Solid State 50 (5), 996 (2008)].Google Scholar

Copyright information

© Pleiades Publishing, Ltd. 2009

Authors and Affiliations

  • M. M. Maslov
    • 1
  • D. A. Lobanov
    • 1
  • A. I. Podlivaev
    • 1
  • L. A. Openov
    • 1
  1. 1.Moscow Institute of Engineering Physics (State University)MoscowRussia

Personalised recommendations