V. Grachev, B. Zaitsev, K. Dyumaev
1973
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0
Influential Citations
3
Citations
Journal
Chemistry of Heterocyclic Compounds
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.