Advertisement

Vibrational predissociation dynamics of the nitric oxide dimer

  • Olivia Borrell-Grueiro
  • Ubaldo Baños-Rodríguez
  • Maykel Márquez-Mijares
  • Jesús Rubayo-Soneira
Regular Article
  • 23 Downloads
Part of the following topical collections:
  1. Topical Issue: Atomic Cluster Collisions

Abstract

We have studied the photofragmentation of NO dimer employing quasi-classical trajectories propagation using quantum probabilities distributions and Wigner distribution functions to determine the initial conditions of the system. The distributions of initial conditions in phase space, between Wigner distribution functions and quantum probabilities distributions, are not so different. The photofragmentation of NO dimer depends strongly on the excitation of the initial state, especially for the lowest of them. These results are in concordance with experimental values where we can see a similar tendency for the lifetimes different vibrational modes that have been studied. In this work we explore more intramolecular and intermolecular vibrational modes. We have increased the number of trajectories and the dissociation distance in the simulation as well.

Graphical abstract

References

  1. 1.
    D.M. Wilberg, M. Gutmann, J.J. Breen, A.H. Zewail, J. Chem. Phys. 96, 198 (1992) ADSCrossRefGoogle Scholar
  2. 2.
    M. Gutmann, D.M. Wilberg, A.H. Zewail, J. Chem. Phys. 97, 8037 (1992) ADSCrossRefGoogle Scholar
  3. 3.
    M.L. González-Martínez, W. Arbelo-González, J. Rubayo-Soneira, L. Bonnet, J.-C. Rayez, Chem. Phys. Lett. 463, 65 (2008) ADSCrossRefGoogle Scholar
  4. 4.
    W. Arbelo-González, L. Bonnet, P. Larrégaray, J.-C. Rayez, J. Rubayo-Soneira, Chem. Phys. 399, 117 (2012) ADSCrossRefGoogle Scholar
  5. 5.
    O. Borrell-Grueiro, M. Márquez-Mijares, P. Pajón-Suárez, R. Hernández-Lamoneda, J. Rubayo-Soneira, Chem. Phys. Lett. 563, 20 (2013) ADSCrossRefGoogle Scholar
  6. 6.
    J. Rubayo-Soneira, A. García-Vela, G. Delgado-Barrio, P. Villarreal, Chem. Phys. Lett. 243, 236 (1995) ADSCrossRefGoogle Scholar
  7. 7.
    A. García-Vela, J. Rubayo-Soneira, G. Delgado-Barrio, P. Villarreal, J. Chem. Phys. 104, 8405 (1996) ADSCrossRefGoogle Scholar
  8. 8.
    O. Roncero, J. Campos-Martínez, M.I. Hernández, G. Delgado-Barrio, P. Villarreal, J. Rubayo-Soneira, J. Chem. Phys. 115, 2566 (2001) ADSCrossRefGoogle Scholar
  9. 9.
    J.A. Cabrera, C.R. Bieler, B.C. Olbricht, W.E. van der Veer, K.C. Janda, J. Chem. Phys. 123, 054311 (2005) ADSCrossRefGoogle Scholar
  10. 10.
    M.L. González-Martínez, J. Rubayo-Soneira, K. Janda, Phys. Chem. Chem. Phys. 8, 4550 (2006) CrossRefGoogle Scholar
  11. 11.
    M.L. González-Martínez, W. Arbelo-González, J. Rubayo-Soneira, L. Bonnet, J.-C. Rayez, Chem. Phys. Lett. 463, 65 (2008) ADSCrossRefGoogle Scholar
  12. 12.
    S.K. Reed, M.L. González-Martínez, J. Rubayo-Soneira, D.V. Shalashilin, J. Chem. Phys. 134, 054110 (2011) ADSCrossRefGoogle Scholar
  13. 13.
    A. Tachibana, T. Suzuki, M. Yamato, T. Yamabe, Chem. Phys. 146, 245 (1990) ADSCrossRefGoogle Scholar
  14. 14.
    P. Pajón-Suárez, J. Rubayo-Soneira, R. Hernández-Lamoneda, J. Phys. Chem. A 115, 2892 (2011) CrossRefGoogle Scholar
  15. 15.
    E. Wigner, Phys. Rev. 40, 749 (1932) ADSCrossRefGoogle Scholar
  16. 16.
    L. Bonnet, Int. Rev. Phys. Chem. 32, 171 (2013) CrossRefGoogle Scholar
  17. 17.
    A.R.W. McKellar, J.K.G. Watson, B. Howard, J. Mol. Phys. 86, 273 (1995) ADSCrossRefGoogle Scholar
  18. 18.
    M.P. Casassa, J.C. Stephenson, D.S. King, J. Chem. Phys. 89, 1966 (1988) ADSCrossRefGoogle Scholar
  19. 19.
    R. Schinke, Photodissociation dynamics (Cambridge University Press, Cambridge, 1993) Google Scholar
  20. 20.
    S. Goursaud, M. Sizun, F. Fiquet-Fayard, J. Chem. Phys. 65, 5453 (1976) ADSCrossRefGoogle Scholar
  21. 21.
    H. Kahn, Use of different Monte Carlo sampling techniques (Ed. Wiley, New York, 1956) Google Scholar
  22. 22.
    R. Prosmiti, P. Villarreal, G. Delgado-Barrio, O. Roncero, Chem. Phys. Lett. 359, 229 (2002) ADSCrossRefGoogle Scholar
  23. 23.
    J.R. Hetzler, M.P. Casassa, D.S. King, J. Phys. Chem. 95, 8086 (1991) CrossRefGoogle Scholar
  24. 24.
    M.P. Casassa, J.C. Stephenson, D.S. King, J. Chem. Phys. 85, 2333 (1986) ADSCrossRefGoogle Scholar
  25. 25.
    Y. Matsumoto, Y. Ohshima, M. Takami, J. Chem. Phys. 92, 937 (1990) ADSCrossRefGoogle Scholar
  26. 26.
    A.B. Potter, J. Wei, H. Reisler, J. Phys. Chem. B 109, 8407 (2005) CrossRefGoogle Scholar
  27. 27.
    A. Dkhissi, N. Lacome, A. Perrin, J. Mol. Spectrosc. 194, 156 (1999) ADSCrossRefGoogle Scholar
  28. 28.
    A. Dkhissi, P. Soulard, A. Perrin, N. Lacome, J. Mol. Spectrosc. 183, 12 (1997) ADSCrossRefGoogle Scholar
  29. 29.
    P. Asselin, P. Soulard, N. Lacome, J. Mol. Spectrosc. 190, 274 (1998) ADSCrossRefGoogle Scholar
  30. 30.
    A. Tachibana, M. Yamato, T. Suzuki, T. Yamabe, J. Mol. Struct. (Theochem) 231, 291 (1991) CrossRefGoogle Scholar
  31. 31.
    S. Marouani, M. Bahri, H. Batis, M. Hochlaf, J. Phys. Chem. A 114, 3025 (2010) CrossRefGoogle Scholar
  32. 32.
    S.V. Levchenko, H. Reisler, A.I. Krylov, O. Gessner, A. Stolow, H. Shi, A.L.L. East, J. Chem. Phys. 125, 084301 (2006) ADSCrossRefGoogle Scholar
  33. 33.
    M. Tsubouchi, T. Suzuki, Chem. Phys. Lett. 382, 418 (2003) ADSCrossRefGoogle Scholar
  34. 34.
    V. Dribinski, A.B. Potter, I. Fedorov, H. Reisler, J. Chem. Phys. 121, 1235 (2004) CrossRefGoogle Scholar

Copyright information

© EDP Sciences, SIF, Springer-Verlag GmbH Germany, part of Springer Nature 2018

Authors and Affiliations

  • Olivia Borrell-Grueiro
    • 1
  • Ubaldo Baños-Rodríguez
    • 2
  • Maykel Márquez-Mijares
    • 1
  • Jesús Rubayo-Soneira
    • 1
  1. 1.Instituto Superior de Tecnologías y Ciencias Aplicadas (InSTEC), Havana UniversityLa HabanaCuba
  2. 2.Centro Brasileiro de Pesquisas Físicas (CBPF)Rio de JaneiroBrazil

Personalised recommendations