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Structure of nitrogen molecular clusters (N2)n with 13 ≤ n ≤ 55

  • F. Calvo
  • A. Boutin
  • P. Labastie
Conference paper

Abstract

We investigate the structural properties of nitrogen molecular clusters (N2) n using classical Monte Carlo simulations and optimization methods. As is the case for argon clusters, we find polyicosahedral (anti-Mackay) geometries above 13 molecules, and multilayer icosahedra with uncomplete outer shell (Mackay) geometries below 55 molecules. The crossover point between these two kinds of structures is located near 42 molecules, whereas it is at only 31 for argon. With a simple three-body (Axilrod-Teller) potential added to the standard Lennard-Jones model, we interpret this difference as the result of the strong anisotropy of the molecular potential.

PACS

36.40.Mr Spectroscopy and geometrical structure of clusters 

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References

  1. 1.
    D.1 Wales, J.P.K. Doye: J. Phys. Chem, A 101, 5111 (1997)CrossRefGoogle Scholar
  2. 2.
    J.A. Niesse, H.R. Mayne: J. Chem. Phys. 105, 4700 (1996)ADSCrossRefGoogle Scholar
  3. 3.
    Doye, D.J. Wales: J. Chem. Phys. 102, 9659 (1995)ADSCrossRefGoogle Scholar
  4. 4.
    P. Labastie, R.L. Whetten; Phys. Rev. Lett, 65, 1567 (1990)ADSCrossRefGoogle Scholar
  5. 5.
    F. Calvo, F. Spiegelmarm: Phys. Rev. B 54, 949 (1996)Google Scholar
  6. 6.
    K. Liu, J.D. Cruzan, R.J. Saykally: Science 271, 929 (1996)ADSCrossRefGoogle Scholar
  7. 7.
    A. Boutin,.I.-B. Maillet, A.H. Fuchs: J. Chem. Phys. 99, 9944 (1993)ADSCrossRefGoogle Scholar
  8. 8.
    G. Torchet, M.-F. De Feraudy, A. Boutin, A.H. Fuchs: J. Chem. Phys. 105, 3671 (1996)ADSCrossRefGoogle Scholar
  9. 9.
    S. Goyal, D.L. Schutt, G. Scoles: J. Chem. Phys. 102, 2302 (1995)ADSCrossRefGoogle Scholar
  10. 10.
    A. Boutin, B. Rousseau, A.H. Fuchs: Chem. Phys. Lett. 218, 122 (1994)ADSCrossRefGoogle Scholar
  11. 11.
    J.-B. Maillet, A. Boutin, S. Buttefey, F. Calvo: A.B. Fuchs: J. Chem. Phys. 109, 329 (1998)ADSCrossRefGoogle Scholar
  12. 12.
    J.P.K. Doye, D.J. Wales, R.S. Berry: J. Chem. Phys. 103, 4234 (1995)ADSCrossRefGoogle Scholar
  13. 13.
    F. Calvo, G. Torchet, M.-F. De Feraudy: J. Chem. Phys. (to be published)Google Scholar
  14. 14.
    M. Bertolus, V. Brenner, P. Millié„L-B. Mailtet: Z. Phys, D 39, 239 (1997)Google Scholar
  15. 15.
    The ordering between the two lowest isomers is, however, reversed for (N2)5 and L.J5Google Scholar
  16. 16.
    I. Rodriguez, A.J. Acevedo, G. E. L6pez: 5Iol. Phys. 90, 943 (1997)Google Scholar
  17. 17.
    H,-.J. Böhm, R. Ahhichs: Mol, Phys. 55, 1159 (1985)ADSCrossRefGoogle Scholar
  18. 18.
    J.-B. Maillet, A. Boutin, A.H. Fuchs: Phys. Rev. Lett. 76, 4336 (1996)ADSCrossRefGoogle Scholar
  19. 19.
    F. Calvo: Phys. Rev, E 58, 5643 (1998)ADSCrossRefGoogle Scholar
  20. 20.
    J.P.K. Doye, D.J. Wales: New J. Chem. 22, 733 (1998)CrossRefGoogle Scholar
  21. 21.
    J.A. Northby: J. Chem. Phys. 87, 6166 (1987)Google Scholar
  22. 22.
    J. Farges, M.-F. De Feraudy, B. Raoult, G. Torchet: Surf. Sci, 156, 370 (1985)ADSCrossRefGoogle Scholar
  23. 23.
    I.A. Harris, R.S. Kidwell, J.A. Northby: Phys, Rev, Lett. 53, 2390 (1984)ADSCrossRefGoogle Scholar
  24. 24.
    J. Pillardy, L. Piela: J. Phys. Chem. 99, 805 (1995)CrossRefGoogle Scholar
  25. 25.
    D.J. Wales: J. Am. Chem. Soc. Faraday Trans. 86, 3505 (1990)CrossRefGoogle Scholar
  26. 26.
    F. Calvo: J. Chem. Phys. 108, 6861 (1998)ADSCrossRefGoogle Scholar
  27. 27.
    J.P.K. Doye, D.J. Wales: Phys. Rev. Lett. 80, 1357 (1998);ADSCrossRefGoogle Scholar
  28. Doye, D.J. Wales, M.A. Miller: J. Chem. Phys. 109, 8143 (1998)ADSCrossRefGoogle Scholar
  29. 28.
    F. Calve, P. Labastie: Chem. Phys. Lett. 248, 233 (1996)ADSCrossRefGoogle Scholar
  30. 29.
    H.-P. Cheng, R.S. Berry: Phys. Rev. A 45, 7969 (1992)ADSCrossRefGoogle Scholar
  31. 30.
    D.J. Wales: Moi. Phys. 78, 151 (1993)ADSGoogle Scholar
  32. 31.
    C.S. Ewig: J. Chem. Phys. 92, 6620 (1990)ADSCrossRefGoogle Scholar

Copyright information

© Springer-Verlag Italia 1999

Authors and Affiliations

  • F. Calvo
    • 1
  • A. Boutin
    • 2
  • P. Labastie
    • 1
  1. 1.Laboratoire Collisions, Agrégats, Réactivité (UMR 5589, CNRS) IRSAMCUniversité Paul SabatierToulouse CédexFrance
  2. 2.Laboratoire de Chimie-Physique des Matériaux Amorphes, Department of Physical ChemistryUniversité Paris-SudOrsay CédexFrance

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