Quantum-chemical and ir spectroscopic analysis of aminophenol derivatives with antiviral activity

Bioactive carbonyl- and sulfonyl-derivatives of aminophenols were studied. The proton-acceptor abilities of the aminophenols were estimated using a molecular electrostatic potential method. IR Fourier spectra of the aminophenols with different substituents on the amine were measured in solutions and...

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Bibliographic Details
Published in:Journal of applied spectroscopy 2012-11, Vol.79 (5), p.687-694
Main Authors: Bazyl’, O. K., Artyukhov, V. Ya, Mayer, G. V., Tolstorozhev, G. B., Bel’kov, M. V., Skornyakov, I. V., Shadyro, O. I., Sorokin, V. L., Ksendzovac, G. A.
Format: Article
Language:English
Subjects:
Amines
Analysis
Analytical Chemistry
Antiviral agents
Atomic/Molecular Structure and Spectra
Hydrogen bonding
Hydroxides
Physics
Physics and Astronomy
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Summary:Bioactive carbonyl- and sulfonyl-derivatives of aminophenols were studied. The proton-acceptor abilities of the aminophenols were estimated using a molecular electrostatic potential method. IR Fourier spectra of the aminophenols with different substituents on the amine were measured in solutions and crystals. Molecular functional groups that participate in the formation of H-bonds of the O–H⋯O=C, N–H⋯O=C, O–H⋯O=S=O, and N–H⋯O=S=O types were identified. The aminophenol antiviral activity correlated with the ability to form the H-bonds. A correspondence between the proton-acceptor properties of the hydroxyl oxygen in the aminophenols and their antiviral activity was revealed.
ISSN:0021-9037
1573-8647
DOI:10.1007/s10812-012-9658-3