Abstract
On the basis of an analysis of the UV and IR spectra, it was established that 2,3- and 2,5-dihydroxypyridines exist in different forms in neutral, acid, and alkaline media. The electronic absorption spectra of the neutral forms of the molecules and the distribution of the π-electron charges in them were calculated by means of the Pariser—Parr—Pople (PPP) MO method. A comparison of the results of the calculations with the experimental UV spectroscopic data demonstrated that the calculations correctly predict the number of π→π* absorption bands in the accessible region of the UV spectra and their positions and relative intensities.
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Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 1, pp. 60–63, January, 1973.
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Grachev, V.T., Zaitsev, B.E., Dyumaev, K.M. et al. Structure of 2,3- and 2,5-dihydroxypyridines. Chem Heterocycl Compd 9, 51–54 (1973). https://doi.org/10.1007/BF00476149
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DOI: https://doi.org/10.1007/BF00476149