Vibrational spectra of 6-methyluracil, 6-methyl-2-thiouracil and their deuterated analogues

Autor: L. Grosmaire, J.-L. Delarbre
Rok vydání: 2012
Předmět:
Zdroj: Journal of Molecular Structure. 1011:42-49
ISSN: 0022-2860
DOI: 10.1016/j.molstruc.2011.12.007
Popis: FTIR and Raman spectra of 6-methyluracil (6MU), 6-methyl-2-thiouracil (6M2TU) and the deuterated forms were recorded and analysed in the regions 400–4000 cm−1 and 100–4000 cm−1, respectively. The vibrational spectra are assigned using the frequency shifts upon N-deuteration, especially for bands due to NH modes. For both molecules, the isotopic ratio frequency was calculated for each NH/ND vibrations. The sulphur substitution at C2 position in the 6MU molecule has an effect on the N1H and N3H vibration frequencies. The assignments of C2 O and C4 O modes were supported by the absence of the C2 O group in the thio-derivative.
Databáze: OpenAIRE