Abstract
The in-plane vibrations and IR spectrum intensities of monomeric uracil and N1,N3-deuterouracil and their associates in the polycrystalline state were calculated and analyzed in the valence-optical approximation of vibration theory. The obtained data on the variations of the parameters of the molecular models is used to analyze hydrogen bonds. It is shown that in the polycrystalline state uracil forms hydrogen bonds of two types: bonds involving N–H groups (C4=O...HN1, C4=O...HN3) and those involving the C–H group (C2=O...HC5).
Similar content being viewed by others
References
F. Sanger, Principles of Structural Organization of Nucleic Acids [Russian translation], Mir, Moscow (1987).
L. Harsanyi and P. Csaszar, Acta Chim. Hungar., 113, No. 3, 257-278 (1983).
R. C. Lord and G. J. Thomas, Spectrochim. Acta, 23A, 2551-2591 (1967).
A. Aamouche, M. Hgomi, C. Coulombeau, et al., J. Phys. Chem., 100, No. 13, 5224-5234 (1996).
H. Susi and J. S. Ard, Spectrochim. Acta, 27A, 1549-1562 (1971).
J. Florian and V. Hrouda, ibid., 49A, No. 7, 921-938 (1993).
G. V. Kazakova, Zh. Strukt. Khim., 10, No. 4, 618-623 (1969).
A. J. Barnes, M. A. Stuckey, and L. Le Gall, Spectrochim. Acta, 40A, No. 5, 419-431 (1984).
M. Szczesniak, M. J. Nowak, H. Rostkowska, et al., J. Am. Chem. Soc., 105, No. 19, 5969-5976 (1983).
M. Szczesniak, M. J. Nowak, K. Szcsepaniak, et al., Spectrochim. Acta, 41A, Nos. 1/2, 223-235 (1985).
M. Szczesniak, M. J. Nowak, K. Szcsepaniak, and W. B. Person, ibid., 41A, Nos. 1/2, 237-250 (1985).
M. C. Wahl, S. T. Rao, and M. Sundaralingman, Nat. Struct. Biol., 3, 24-31 (1996).
M. Kratochvil, O. Engkvist, J. Sponer, et al., J. Phys. Chem., 102A, 6921-6926 (1998).
S. Schroetter, D. Bougeard, and B. Schrader, Spectrosc. Lett., 18, No. 2, 153-166 (1985).
G. C. Pimentel and A. L. McClellan, The Hydrogen Bond, Freeman, San Francisco (1960).
A. V. Johansen and G. A. Kurkchi, Opt. Spektrosk., 13, 480-487 (1962).
N. D. Sokolov, The Hydrogen Bond [in Russian], Nauka, Moscow (1964), pp. 8-39.
W. D. Bowman and T. G. Spiro, J. Chem. Phys., 73, No. 11, 5482-5422 (1980).
S. Chin, I. Scott, K. Szcsepaniak, and W. B. Person, J. Am. Chem. Soc., 106, No. 12, 3415-3422 (1984).
M. Ghomi, R. Letellier, E. Taillanier, et al., J. Raman Spectrosc., No. 17, 249-255 (1986).
W. L. Peticolas, D. P. Strommen, and V. Lakshminarayanan, J. Chem. Phys., 73, No. 9, 4185-4191 (1980).
Y. Nishimura, M. Tsuboi, S. Kato, and K. Morokuma, J. Am. Chem. Soc., 103, No. 9, 1354-1358 (1981).
L. M. Sverdlov, M. A. Kovner, and E. P. Krainov, Vibrational Spectra of Polyatomic Molecules [in Russian], Nauka, Moscow (1970).
L. M. Babkov and E. S. Vedyaeva, Modern Problems in Scientific Research [in Russian], Saratov (1999).
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).
K. Yu. Chotii, L. I. Kozhevina, V. I. Rybachenko, and E. V. Titov, Ukr. Fiz. Zh., 28, No. 1, 19-23 (1983).
M. J. Wojcik, H. Rostkowska, K. Szcsepaniak, and W. B. Person, Spectrochim. Acta A, 45, No. 4, 499-502 (1989).
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Ten, G.N., Burova, T.G. & Baranov, V.I. Analysis of IR Spectra and Hydrogen Bonds of Uracil and N1,N3-deuterouracil. Journal of Structural Chemistry 42, 555–563 (2001). https://doi.org/10.1023/A:1013129506866
Issue Date:
DOI: https://doi.org/10.1023/A:1013129506866