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Long-range interaction and the dynamics of nonadiabatic transitions in collisions of the I2(E) molecule with inert gas atoms

  • Structure of Matter and Quantum Chemistry
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Abstract

A special form of perturbation theory based on intermolecular interaction was used to analyze the contributions to the interaction energy between a homonuclear diatomic molecule with dipole-coupled electronic states n and n′ and a neutral particle A. At large distances, the energy of the system in both states n and n′ is determined by the induction contribution similar to the induction interaction of particle A and a polar molecule. The presence of a constant electric moment of particle A gives an electrostatic contribution to the matrix element of the nonadiabatic coupling of the states n and n′. The equations obtained were specialized to describe the interaction of the iodine molecule excited to ion-pair states with an inert gas atom and used as corrections to the potential energy surfaces of this system constructed within the diatomics-in-molecule approximation. The dynamics of transitions between the ion-pair states of the I2 molecule induced by collisions with the Ar and He atoms was calculated. The results demonstrate the importance of correctly including long-range interaction.

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References

  1. P. J. Dagdigian, Ann. Rev. Phys. Chem. 48, 95 (1997).

    Article  CAS  Google Scholar 

  2. A. M. Pravilov, in Photoinduced Processes in Molecular Gases (Energoatomizdat, Moscow, 1992) [in Russian].

    Google Scholar 

  3. J. C. D. Brand and A. R. Hoy, Appl. Spectrosc. Rev. 23, 285 (1987).

    CAS  Google Scholar 

  4. K. P. Lawley and R. J. Donovan, J. Chem. Soc., Faraday Trans. 89, 1885 (1993).

    Article  CAS  Google Scholar 

  5. T. V. Tscherbul, A. A. Buchachenko, M. E. Akopyan, et al., Phys. Chem. Chem. Phys. 6, 3201 (2004).

    Article  CAS  Google Scholar 

  6. W. Ubachs, I. Aben, J. B. Milan, et al., Chem. Phys. 174, 285 (1993).

    Article  CAS  Google Scholar 

  7. M. E. Akopyan, N. K. Bibinov, D. B. Kokh, et al., Chem. Phys. 242, 263 (1999).

    Article  CAS  Google Scholar 

  8. D. Inard, D. Cerny, M. Nota, et al., Chem. Phys. 243, 305 (1999).

    Article  CAS  Google Scholar 

  9. R. Teule, S. Stolte, W. Ubachs, et al., Laser Chem. 18, 111 (1999).

    CAS  Google Scholar 

  10. C. J. Fecko, M. A. Freedman, and T. A. Stephenson, J. Chem. Phys. 115, 4132 (2001).

    Article  CAS  Google Scholar 

  11. M. E. Akopyan, N. K. Bibinov, D. B. Kokh, et al., Chem. Phys. 263, 459 (2001).

    Article  CAS  Google Scholar 

  12. N. K. Bibinov, O. L. Malinina, A. M. Pravilov, et al., Chem. Phys. 277, 179 (2002).

    Article  CAS  Google Scholar 

  13. C. J. Fecko, M. A. Freedman, and T. A. Stephenson, J. Chem. Phys. 116, 1361 (2002).

    Article  CAS  Google Scholar 

  14. M. E. Akopyan, A. M. Pravilov, M. B. Stepanov, and A. A. Zakharova, Chem. Phys. 287, 399 (2003).

    Article  CAS  Google Scholar 

  15. P. P. Chandra and T. A. Stephenson, J. Chem. Phys. 121, 2985 (2004).

    Article  CAS  Google Scholar 

  16. M. E. Akopyan, I. Yu. Chinkova, T. V. Fedorova, et al., Chem. Phys. 302, 61 (2004).

    Article  CAS  Google Scholar 

  17. M. E. Akopyan, I. Yu. Novikova, S. A. Poretsky, et al., J. Chem. Phys. 122, 204318 (2005).

    Article  CAS  Google Scholar 

  18. T. V. Shcherbul’, A. V. Zaitsevskii, A. A. Buchachenko, and N. F. Stepanov, Zh. Fiz. Khim. 77(4), 583 (2003) [Russ. J. Phys. Chem. 77 (4), 511 (2003)].

    CAS  Google Scholar 

  19. T. V. Tscherbul and A. A. Buchachenko, Chem. Phys. Lett. 370, 563 (2003).

    Article  CAS  Google Scholar 

  20. T. V. Tscherbul and A. A. Buchachenko, J. Phys. B: At., Mol. Opt. Phys. 37, 1605 (2004).

    Article  CAS  Google Scholar 

  21. T. V. Shcherbul’ and A. A. Buchachenko, Khim. Fiz. 23, 3 (2004).

    CAS  Google Scholar 

  22. K. Lawley, Chem. Phys. 127, 363 (1988).

    Article  CAS  Google Scholar 

  23. Intermolecular Interactions: from Diatomics to Biopolymers, vol. 2 of Perspectives in Quantum Chemistry and Biochemistry, Ed. by B. Pullman (Wiley, Chichester, 1978; Mir, Moscow, 1981).

    Google Scholar 

  24. I. G. Kaplan, Theory of Molecular Interactions (Nauka, Moscow, 1982; Elsevier, New York, 1986).

    Google Scholar 

  25. C. G. Gray, Can. J. Phys. 46, 135 (1968).

    Google Scholar 

  26. R. N. Zare, Angular Momentum: Understanding Spatial Aspects in Chemistry and Physics (Wiley, New York, 1988; Mir, Moscow, 1993).

    Google Scholar 

  27. I. Last and T. F. George, J. Chem. Phys. 87, 1183 (1987).

    Article  CAS  Google Scholar 

  28. I. Last and T. F. George, J. Chem. Phys. 89, 3071 (1988).

    Article  CAS  Google Scholar 

  29. B. L. Grigorenko, A. V. Nemukhin, and V. A. Apkarian, J. Chem. Phys. 104, 5510 (1996).

    Article  CAS  Google Scholar 

  30. B. L. Grigorenko, A. V. Nemukhin, I. A. Topol, and K. S. Burt, J. Chem. Phys. 113, 2638 (2000).

    Article  CAS  Google Scholar 

  31. R. Achlrichs, H. J. Böhm, S. Brode, et al., J. Chem. Phys. 88, 6290 (1988).

    Article  Google Scholar 

  32. A. M. Sjödin, T. Ridley, K. P. Lawley, and R. J. Donovan, J. Chem. Phys. 120, 2740 (2004).

    Article  Google Scholar 

  33. J. A. Blazy, B. M. DeKoven, T. D. Russel, and D. H. Levy, J. Chem. Phys. 72, 2439 (1980).

    Article  CAS  Google Scholar 

  34. A. A. Buchachenko, N. Halberstadt, B. Lepetit, and O. Roncero, Int. Rev. Phys. Chem. 22, 153 (2003).

    Article  CAS  Google Scholar 

  35. S. Fei, X. Zheng, M. C. Heaven, and J. Tellinghuisen, J. Chem. Phys. 97, 6057 (1992).

    Article  CAS  Google Scholar 

  36. D. E. Manopoulos, J. Chem. Phys. 85, 6425 (1986).

    Article  Google Scholar 

  37. M. E. Akopyan, I. Yu. Novikova, S. A. Poretsky, and A. M. Pravilov, Chem. Phys. 310, 287 (2005).

    Article  CAS  Google Scholar 

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Authors and Affiliations

  1. Faculty of Chemistry, Moscow State University, Leninskie gory, Moscow, 119992, Russia

    T. V. Shcherbul’, Yu. V. Suleimanov & A. A. Buchachenko

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  1. T. V. Shcherbul’
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  2. Yu. V. Suleimanov
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  3. A. A. Buchachenko
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Original Russian Text © T.V. Shcherbul’, Yu.V. Suleimanov, A.A. Buchachenko, 2006, published in Zhurnal Fizicheskoi Khimii, 2006, Vol. 80, No. 12, pp. 2196–2206.

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Shcherbul’, T.V., Suleimanov, Y.V. & Buchachenko, A.A. Long-range interaction and the dynamics of nonadiabatic transitions in collisions of the I2(E) molecule with inert gas atoms. Russ. J. Phys. Chem. 80, 1957–1967 (2006). https://doi.org/10.1134/S0036024406120168

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  • DOI: https://doi.org/10.1134/S0036024406120168

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