Out-of-plane vibration modes of nucleic acid bases |
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Authors: | R Letellier M Ghomi E Taillandier |
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Institution: | (1) Laboratoire de Spectroscopie Biomoléculaire, U.F.R. Biomédicale de Bobigny, Université Paris XIII, 74, Rue Marcel Cachin, F-93012 Bobigny Cedex, France |
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Abstract: | The out-of-plane vibration modes of uracil, cytosine and their deuterated and methylated derivatives such as 1,5-dimethyluracil (1-methylthymine), I-methylcytosine, 5-methylcytosine and 1,5-dimethylcytosine have been computed. The calculated wave-numbers have been compared to the published Raman peak and infrared band positions observed for solid or aqueous samples. The calculations have been carried out on a non-redundant set of symmetrical coordinates and a valence force field has been used. Some characteristic modes located between 750 and 800 cm-1 found in the infrared spectra of 2-deoxycytidine, 2-deoxythymidine 5-monophosphate and polynucleotides containing cytosine and thymine bases can be interpreted from the calculated results on 1-methylthymine and 1-methylcytosine. |
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Keywords: | Uracil thymine cytosine vibration modes nucleic acids normal coordinate analysis |
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