Russian Chemical Bulletin

, Volume 47, Issue 3, pp 417–422 | Cite as

Raman spectra and structural features of ClOF2 + cation in a solution of anhydrous HF

  • Sh. Sh. Nabiev
  • I. I. Ostroukhova
  • N. V. Revina
  • L. P. Sukhanov
Physical Chemistry

Abstract

The Raman spectra of ClOF2 + cation in solutions of anhydrous HF were studied. In the ClOF2 +HF2 and ClOF2 +BF4 −HF systems, this cation exists as a pyramidal structure (C s symmetry), while in the ClOF2 +AuF6 −HF system, it exists as a planar structure (C 2v symmetry). Based on nonempirical calculations by the Hartree-Fock-Roothaan method, an explanation for the dependence of the structure of the ClOF2 + cation on the nature of the anion was proposed. For the Cl−O bond vibrations, the correlation functions of vibrational and rotational relaxations were calculated, and the characteristic times of these processes were determined. The main contribution to the formation of the band contours corresponding to the above-mentioned modes is made by the vibrational dephasing.

Key words

Raman spectrum ClOF2+ cation anhydrous HF frequency of bond vibration nonempirical calculations Hartree-Fock-Roothaan method correlation function vibrational and rotational relaxations 

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References

  1. 1.
    R. Bougon, J. Isabey, and P. Plurien,C. R. Acad. Sci. Paris, Ser. C, 1970,271, 1366.Google Scholar
  2. 2.
    K. O. Christe and G. J. Schack,Adv. Inorg. Chem. and Radiochem., 1976,18, 319.Google Scholar
  3. 3.
    E. Cartmell and G. W. A. Fowles,Valency and Molecular Structure, Buttervorths, London, 1977.Google Scholar
  4. 4.
    H. Oberhammer and K. O. Christe,Inorg. Chem., 1982,21, 273.CrossRefGoogle Scholar
  5. 5.
    K. O. Christe and H. Oberhammer,Inorg. Chem., 1981,20, 297.CrossRefGoogle Scholar
  6. 6.
    Yu. A. Buslaev, V. F. Sukhoverkhov, and N. M. Klimenko,Koord. Khim., 1983,9, 1011 [Sov. J. Coord. Chem., 1983,9 (Engl. Transl.)].Google Scholar
  7. 7.
    I. V. Nikitin,Ftoridy i oksiftoridy galogenov [Halide Fluorides and Oxyfluorides], Nauka, Moscow, 1989, 118 pp.Google Scholar
  8. 8.
    C. J. Schack, C. B. Lindahl, D. Pilipovich, and K. O. Christe,Inorg. Chem, 1972,11, 2201.CrossRefGoogle Scholar
  9. 9.
    R. Bougon, T. Buy Huy, A. Cadet, P. Charpin, and H. Rousson,Inorg. Chem., 1974,13, 690.CrossRefGoogle Scholar
  10. 10.
    J. E. Huheey,Inorganic Chemistry. Principles of Structure and Reactivity, Harper and Row, New York, 1983.Google Scholar
  11. 11.
    W. R. Rotschild,Dynamics of Molecular Liquids, Wiley, New York, 1984, 417 p.Google Scholar
  12. 12.
    Sh. Sh. Nabiev and I. I. Ostroukhova,Spectrochim. Acta, 1993,49A, 1527.Google Scholar
  13. 13.
    V. E. Shkrunin, L. A. Efimychev, P. G. Sennikov, and K. G. Tokhadze,Vysokochistye veshchestva [Extra Pure Substances], 1988, No. 6, 221 (in Russian).Google Scholar
  14. 14.
    S. M. Colwell,MICROMOL Tutor, University of Cambridge, Cambridge, 1978.Google Scholar
  15. 15.
    T. Klark,A Handbook of Computational Chemistry, Wiley, New York, 1985.Google Scholar
  16. 16.
    Molekulyarnye postoyannye neorganicheskikh soedinenii [Molecular Parameters of Inorganic Compounds], Ed. K. S. Krasnov, Khimiya, Leningrad, 1979, 448 pp.Google Scholar
  17. 17.
    A. D. McLean and G. S. Chandler,J. Chem. Phys., 1980,72, 5639.CrossRefGoogle Scholar
  18. 18.
    S. Husinaga,J. Chem. Phys. 1965,42, 1293.CrossRefGoogle Scholar
  19. 19.
    T. N. Dunning,J. Chem. Phys., 1970,53, 2823.CrossRefGoogle Scholar
  20. 20.
    R. Bougon,C. R. Acad. Sci. Paris, Ser. C, 1972,274, 696.Google Scholar
  21. 21.
    R. Bougon, J. Isabey, and P. Plurien,C. R. Acad. Sci. Paris, Ser. C, 1971,273, 415.Google Scholar
  22. 22.
    K. O. Christe, E. C. Curtis, and K. J. Schack,Inorg. Chem., 1972,11, 2212.CrossRefGoogle Scholar
  23. 23.
    G. L. Gutsev and A. I. Boldyrev,Koord. Khimiya 1984,10, 1455 [Sov. J. Coord. Chem., 1984,10 (Engl. Transl.)].Google Scholar
  24. 24.
    A. A. Radtsig and B. M. Smirnov,Parametry atomov i atomnykh ionov [Parameters of Atoms and Atomic Ions], Energoatomizdat, Moscow, 1986, 344 pp. (in Russian).Google Scholar
  25. 25.
    E. L. Pace and H. V. Samuelson,J. Chem. Phys., 1966,44, 3682.CrossRefGoogle Scholar
  26. 26.
    B. Desbat and P. Huong,J. Chem. Phys., 1983,78, 6377.CrossRefGoogle Scholar
  27. 27.
    D. Irish and M. Brooker, inAdv. Infrared and Raman Spectrosc., Eds. R. J. H. Clarke and R. E. Hester, Hoyden, New York, 1976, 212.Google Scholar
  28. 28.
    D. V. James, inProgr. Inorg. Chem., Ed. S. J. Lippard, Wiley, New York, 1985,33, 353.Google Scholar

Copyright information

© Plenum Publishing Corporation 1998

Authors and Affiliations

  • Sh. Sh. Nabiev
    • 1
  • I. I. Ostroukhova
    • 1
  • N. V. Revina
    • 1
  • L. P. Sukhanov
    • 1
  1. 1.Russian Scientific Center “Kurchatov Institute”MoscowRussian Federation

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