Abstract
The non-planar vibration modes of guanine and adenine, and their C8-deuterated, N-deuterated and perdeuterated analogs have been calculated using a valence force field and a set of non-redundant symmetrical coordinates. Moreover, the effect of 15N isotopic substitution in both pyrimidic and imidazolic rings of guanine has been studied. The calculated wavenumbers are in agreement with the published Raman and infrared spectra. The extension of the force field to the N9-methylated derivatives of guanine and adenine bases has also been described. On the basis of these calculations one can assign the guanine and adenine residue out-of-plane modes observed in the 800–750 cm-1 region in the infrared spectra of the mononucleotides and polynucleotides containing purine bases.
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Letellier, R., Ghomi, M. & Taillandier, E. Out-of-plane vibration modes of nucleic acid bases. Eur Biophys J 14, 243–252 (1987). https://doi.org/10.1007/BF00256357
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DOI: https://doi.org/10.1007/BF00256357