Abstract
The individual UV absorption spectra of ionic and tautomeric species of uracil and eight derivatives have been determined by second derivative spectroscopy. Second derivative bands have been ascribed to different species by taking into account the proportion of each molecular species at each pH value and the tautomer fixed for derivatives. Theoretical results in the literature are in good agreement with the observed λ Min(D 2nd) positions of both N(1)- and N(3)- uracil monoanion and dianion. Neutral uracil species (diketo form) presents six second derivative bands (two in normal spectra). For the three higher electronic transition energies, the discrepancy between calculated and experimental values does not exceed 0.05 e V. Literature assignment from normal spectra for the N(3)- anion are ππ* transitions but our results show that n π* are possible too.
Published Version
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