Journal of Structural Chemistry

, Volume 46, Issue 6, pp 998–1005 | Cite as

Calculation of Raman spectra and structure elucidation of guanine in the polycrystalline state and in aqueous solution

  • G. N. Ten
  • T. G. Bourova
  • V. I. Baranov


The frequencies and relative intensities of lines in the Raman spectra of the condensed states of guanine and its deutero substituted analog have been calculated. The effect of hydrogen bonding on the Raman spectrum has been studied. Guanine exists in different tautomeric forms (G-N9H and G-N7H) at different pH in aqueous solution (for acidic and alkaline media, respectively).


Raman spectra guanine hydrogen bond tautomers 


Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.


  1. 1.
    M. J. Nowak, L. Lapinski, and J. Fulara, Spectrochim. Acta, 45A, 229–242 (1989).Google Scholar
  2. 2.
    M. J. Nowak, J. Mol. Struct., 193, 35–49 (1989).CrossRefGoogle Scholar
  3. 3.
    E. D. Radchenko, A. M. Plokhotnichenko, A. Yu. Ivanov, et al., Biofizika, No. 31, 373–381 (1986).Google Scholar
  4. 4.
    E. D. Radchenko, A. M. Plokhotnichenko, G. G. Sheina, and Yu. P. Blagoi, ibid., No. 28, 923–927 (1983).Google Scholar
  5. 5.
    K. Szczepaniak, M. M. Szczesniak, J. S. Kwiatkowski, et al., J. Am. Chem. Soc., 110, 8319–8330 (1988).CrossRefGoogle Scholar
  6. 6.
    K. Szczepaniak, M. M. Szczesniak, and W. B. Person, J. Phys. Chem., 104A, 3852–3863 (2000).Google Scholar
  7. 7.
    A. Aamouche, M. Ghomi, C. Coulombeau, et al., ibid., 101A, 1808–1817 (1997).Google Scholar
  8. 8.
    J. Florian, V. Baumruk, and J. Leszczynski, ibid., 100, 5578–5589 (1996).CrossRefGoogle Scholar
  9. 9.
    M. V. Volkenshtein, The Physics of Life Processes [in Russian], Nauka, Moscow (1975).Google Scholar
  10. 10.
    K. Szczepaniak and M. Szczepaniak, J. Mol. Struct., 151, 294–300 (1987).Google Scholar
  11. 11.
    M. Graindourze, Y. Smets, T. Zeegers-Huyskens, and G. Maes, ibid., 222, 345–350 (1990).CrossRefGoogle Scholar
  12. 12.
    G. N. Ten, T. G. Bourova, and V. I. Baranov, Zh. Strukt. Khim., 42, 666–676 (2001).Google Scholar
  13. 13.
    G. N. Ten, T. G. Bourova, and V. I. Baranov, Izv. Vyssh. Uchebn. Zaved., Fiz., No. 6, 47–59 (2004).Google Scholar
  14. 14.
    G. N. Ten and V. I. Baranov, Opt. Spektrosk., 97, No. 1, 1–9 (2004).CrossRefGoogle Scholar
  15. 15.
    L. A. Gribov and V. A. Dementiev, Methods and Algorithms of Calculations in the Theory of Vibrational Spectra of Polyatomic Molecules [in Russian], Nauka, Moscow (1981).Google Scholar
  16. 16.
    M. V. Volkenshtein, L. A. Gribov, M. A. El’yashevich, and B. I. Stepanov, Vibrations of Molecules [in Russian], Nauka, Moscow (1972).Google Scholar
  17. 17.
    R. C. Lord and G. J. Thomas, Spectrochim. Acta, 23A, 2551–2591 (1967).Google Scholar
  18. 18.
    M. Majoube, J. Chim. Phys., 81, 303–315 (1984).CrossRefGoogle Scholar
  19. 19.
    M. Majoube, J. Mol. Struct., 114, 403–406 (1984).CrossRefGoogle Scholar
  20. 20.
    J.-M. Delabar and M. Majoube, Spectro him. Acta, 34A, 129–140 (1978).CrossRefGoogle Scholar
  21. 21.
    E. Nir, Ch. Janzen, P. Imhof, et al., J. Chem Phys., 115, 4604–4611 (2001).CrossRefGoogle Scholar
  22. 22.
    S. X. Tian and K. Z. Xu, Chem. Phys., 204, 187–196 (2001).CrossRefGoogle Scholar
  23. 23.
    B. Mennucci, A. Toniolo, and J. Tomasi, J. Phys. Chem., 105A, 7126–7134 (2001).Google Scholar
  24. 24.
    P. C. Mishra and K. Jug, J. Mol. Struct. (Theochem.), 305, 139–148 (1994).CrossRefGoogle Scholar
  25. 25.
    W. Saenger, Principles of Nucleic Acid Structure, Springer Advanced Texts in Chemistry, Springer, New York (1984).Google Scholar
  26. 26.
    H. Susi, J. S. Ard, and J. M. Purcell, Spectrochim. Acta, 29A, 725–733 (1973).Google Scholar
  27. 27.
    H. Susi and J. S. Ard, ibid., 30A, 1843–1853 (1974).Google Scholar
  28. 28.
    H. Susi and J. S. Ard, ibid., 27A, 1549–1562 (1974).Google Scholar
  29. 29.
    G. N. Ten, T. G. Bourova, and V. I. Baranov, Zh. Prikl. Spektrosk., 72, No. 1, 99–105 (2005).Google Scholar
  30. 30.
    M. Majoube, Ph. Millie, P. Lagant, and G. Vergoten, J. Raman Spectr., 25, 821–836 (1994).CrossRefGoogle Scholar
  31. 31.
    T. Bourova, G. Ten, and V. Berezin, J. Mol. Struct., 480/481, 253–261 (1999).CrossRefGoogle Scholar
  32. 32.
    T. Bourova, G. Ten, S. Andreeva, and V. Berezin, J. Raman Spectr., 31, 827–836 (2000).CrossRefGoogle Scholar

Copyright information

© Springer Science+Business Media, Inc. 2005

Authors and Affiliations

  • G. N. Ten
    • 1
  • T. G. Bourova
    • 1
  • V. I. Baranov
    • 2
  1. 1.N. G. Chernyshevskii State UniversitySaratov
  2. 2.V. I. Vernadskii Institute of Geochemistry and Analytical ChemistryRussian Academy of SciencesMoscow

Personalised recommendations