Russian Physics Journal

, Volume 42, Issue 9, pp 860–864 | Cite as

Intermolecular hydrogen bond and its spectroscopic manifestations in formation of small water complexes

  • N. A. Zvereva
Optics and Spectroscopy

Abstract

Ab initio calculations of small water(H 2 O) n , n=2–7, complexes and the experimental evidence available are compared. The results obtained are used as a basis for a theoretical investigation into the water molecule association through hydrogen bonding and its spectroscopic manifestations. Basic structural and spectroscopic trends are established as the complex increases in size.

Keywords

Normal Vibration Unshared Electron Pair Blue Wavelength Water Monomer Intermolecular Vibration 

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References

  1. 1.
    R. Fletcher, Computer J.,13, 317 (1970).MATHCrossRefGoogle Scholar
  2. 2.
    M. Peterson and R. Poirer, MONSTERGAUSS-90, Department of Chemistry, University of Toronto and Memorial University of Newfoundland, 1990.Google Scholar
  3. 3.
    C. C. J. Roothaan, Rev. Mod. Phys.,32, 179 (1960).MATHMathSciNetCrossRefADSGoogle Scholar
  4. 4.
    K. Hirao and H. Nakatsuji, J. Chem. Phys.,59, 1459 (1973).CrossRefGoogle Scholar
  5. 5.
    K. Hirao, J. Chem. Phys.,60, 3125 (1974).MathSciNetCrossRefGoogle Scholar
  6. 6.
    R. Carbo and J. M. Riera, Lectures Notes in Chemistry, Springer Verlag, Berlin, 1978.Google Scholar
  7. 7.
    W. D. Edwards and M. C. Zerner, Theor. Chim. Acta,72, 347 (1978).CrossRefGoogle Scholar
  8. 8.
    L. Domingo and J. I. Burgos, Stud. Phys. Theor. Chem.,62, 103 (1989).Google Scholar
  9. 9.
    N. A. Zvereva and I. I. Ippolitov, Proc. SPIE,3090, 88 (1996).ADSGoogle Scholar
  10. 10.
    N. A. Zvereva, Proc. SPIE,3683, 113 (1998).Google Scholar
  11. 11.
    S. S. Xantheas and T. H. Dunnig, J. Chem. Phys.,99, No. 11, 8774 (1993).CrossRefADSGoogle Scholar
  12. 12.
    Z. Slanina, Chem. Phys. Lett.,172, No. 5, 367 (1990).CrossRefADSGoogle Scholar
  13. 13.
    D. F. Coken, R. E. Miller, and R. O. Watts, J. Chem. Phys.,82, 3554 (1985).CrossRefADSGoogle Scholar
  14. 14.
    W. A. Goddard and W. J. Hunt, Chem. Phys. Lett.,24, No. 4, 464 (1974).CrossRefADSGoogle Scholar

Copyright information

© Kluwer Academic/Plenum Publishers 1999

Authors and Affiliations

  • N. A. Zvereva

There are no affiliations available

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