Spontaneous self-association of adenine and uracil in polycrystals from low temperature FTIR spectra in the range below 1000 cm(-1)

Spectrochim Acta A Mol Biomol Spectrosc. 2005 Nov;62(1-3):233-8. doi: 10.1016/j.saa.2004.12.037. Epub 2005 Jan 26.

Abstract

FTIR spectra of solid samples of co-crystallized adenine and uracil were measured at 10K in the range below 1000cm(-1). New bands ascribable to the N3H (uracil) and NH(2) (adenine) out of plane vibrations, which disappear upon D-exchange, were revealed in comparison with the spectra of pure polycrystalline adenine and uracil obtained in the same conditions. The observed changes relate to the same groups that establish the H-bonds in base pairs of naturally occurring nucleic acids, despite the presence of an extra proton donor NH-group in both molecules. The well-established empirical correlation between the out of plane NH vibrational frequencies and H-bond energies was successfully applied for estimation of the latter in the mixed crystal.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Adenine / analysis
  • Adenine / chemistry*
  • Crystallography
  • Models, Molecular
  • Sensitivity and Specificity
  • Spectroscopy, Fourier Transform Infrared / methods*
  • Uracil / analysis
  • Uracil / chemistry*
  • X-Ray Diffraction

Substances

  • Uracil
  • Adenine