Skip to main content
SpringerLink
Log in

A vibrational analysis of the (X2O)2(g) (X=H, D, T) isotopomeric species

  • Published:
Journal of Radioanalytical and Nuclear Chemistry Aims and scope Submit manuscript

Abstract

Harmonic vibrational analysis is carried out for the water dimer (1H or natural isotopic mixture) and its2D and3T isotopomers in the gas phase, using the recently designed flexible potential energy functions. The results represent the most complete and reliable theoretical evaluation of the vibrational frequencies, directly applicable to various observation interpretations. The complete data set can also be useful for a more general isotopomeric reasoning.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. T. R. DYKE, K. M. MACK, J. S. MUENTER, J. Chem. Phys., 66 (1977) 498.

    Google Scholar 

  2. J. A. ODUTOLA, T. R. DYKE, J. Chem. Phys., 72 (1980) 5062.

    Google Scholar 

  3. A. ENGDAHL, B. NELANDER, Chem. Phys., 100 (1985) 273.

    Google Scholar 

  4. A. ENGDAHL, B. NELANDER, J. Phys. Chem., 90 (1986) 4982.

    Google Scholar 

  5. A. ENGDAHL, B. NELANDER, J. Chem. Phys. 86 (1987) 1819.

    Google Scholar 

  6. E. CLEMENTI, Determination of Liquid Water Structure, Coordination Numbers for Ions and Solvation for Biological Molecules, Springer-Verlag, Berlin, 1976.

    Google Scholar 

  7. J. R. REIMERS, R. O. WATTS, M. L. KLEIN, Chem. Phys., 64 (1982) 95.

    Google Scholar 

  8. J. L. FINNEY, J. E. QUINN, J. O. BAUM, Water Sci. Rev., 1 (1985) 93.

    Google Scholar 

  9. F. FRANKS, Anal. Sci., 4 (1988) 441.

    Google Scholar 

  10. Z. SLANINA, J. Chem. Phys., 73 (1980) 2519.

    Google Scholar 

  11. Z. SLANINA, Collect. Czech. Chem. Commun., 45 (1980) 3417.

    Google Scholar 

  12. Z. SLANINA, Advan. Mol. Relax. Interact. Process., 19 (1981) 117.

    Google Scholar 

  13. P. BOPP, G. JANCSÓ, K. HEINZINGER, Chem. Phys. Lett., 98 (1983) 129.

    Google Scholar 

  14. J. R. REIMERS, R. O. WATTS, Chem. Phys., 85 (1984) 83.

    Google Scholar 

  15. G. JANCSÓ, P. BOPP, K. HEINZINGER, Chem. Phys., 85 (1984) 377.

    Google Scholar 

  16. G. C. LIE, E. CLEMENTI, Phys. Rev., A 33 (1986) 2679.

    Google Scholar 

  17. K. REFSON, G. C. LIE, E. CLEMENTI, J. Chem. Phys., 87 (1987) 3634.

    Google Scholar 

  18. Z. SLANINA, Chem. Phys. Lett., 172 (1990) 367.

    Google Scholar 

  19. H. L. LEMBERG, F. H. STILLINGER, J. Chem. Phys., 62 (1975) 1677.

    Google Scholar 

  20. A. RAHMAN, F. H. STILLINGER, H. L. LEMBERG, J. Chem. Phys., 63 (1975) 5223.

    Google Scholar 

  21. F. H. STILLINGER, A. RAHMAN, J. Chem. Phys., 68 (1978) 666.

    Google Scholar 

  22. G. D. CARNEY, L. A. CURTISS, S. R. LANGHOFF, J. Mol. Spectrosc., 61 (1976) 371.

    Google Scholar 

  23. O. MATSUOKA, E. CLEMENTI, M. YOSHIMINE, J. Chem. Phys., 64 (1976) 1351.

    Google Scholar 

  24. R. J. BARTLETT, I. SHAVITT, G. D. PURVIS III, J. Chem. Phys., 71 (1979) 281.

    Google Scholar 

  25. D. G. BOUNDS, Chem. Phys. Lett., 96 (1983) 604.

    Google Scholar 

  26. V. CARRAVETTA, E. CLEMENTI, J. Chem. Phys., 81 (1984) 2646.

    Google Scholar 

  27. V. HERMANN, B. D. KAY, A. W. CASTLEMAN, Jr., Chem. Phys., 72 (1982) 185.

    Google Scholar 

  28. M. WOLFSBERG, Accounts Chem. Res., 5 (1972) 225.

    Google Scholar 

Download references

Author information

Author notes

  1. Z. Slanina

    Present address: The J. Heyrovský Institute of Physical Chemistry and Electrochemistry, Czechoslovak Academy of Sciences, Dolejškova 3, CS-18223, Prague 8-Kobylisy, Czech and Slovak Federal Republic

Authors and Affiliations

  1. Max-Planck-Institut für Chemie, Otto-Hahn-Institut, Mainz, (FRG)

    Z. Slanina

Authors
  1. Z. Slanina
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Slanina, Z. A vibrational analysis of the (X2O)2(g) (X=H, D, T) isotopomeric species. Journal of Radioanalytical and Nuclear Chemistry, Articles 149, 141–147 (1991). https://doi.org/10.1007/BF02053722

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF02053722

Keywords

Search

Navigation