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The electronic structures of 3-hydroxypyridines

Part I. PMR and MO LCAO calculations

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Theoretical and Experimental Chemistry Aims and scope

Abstract

Chemical shifts are reported for 3-hydroxypyridine derivatives in acid, neutral, and alkaline media. The π-charge distribution is reported (LCAO method, Huckel's approximation) for the neutral, anionic, cationic, and bipolar species. The results reveal the trends in the electron-density distribution in 3-hydroxypyridine derivatives.

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Lezina, V.P., Bystrov, V.F., Smirnov, L.D. et al. The electronic structures of 3-hydroxypyridines. Theor Exp Chem 1, 180–185 (1965). https://doi.org/10.1007/BF01134317

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  • DOI: https://doi.org/10.1007/BF01134317

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