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Open Chemistry

formerly Central European Journal of Chemistry


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Volume 10, Issue 1

Issues

Volume 13 (2015)

Molecular dynamics of (Z)-1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone oxime and (E)-2-hydroxy-5-methylacetophenone thiosemicarbazone in solution studied by NMR spectroscopy

Ibrahim Mamedov / Uwe Eichhoff / Abel Maharramov / Musa Bayramov / Yegana Mamedova
Published Online: 2011-11-24 | DOI: https://doi.org/10.2478/s11532-011-0135-2

Abstract

The formation of hydrogen bonds and the molecular dynamics for molecules (Z)-1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone oxime and (E)-2-hydroxy-5-methylacetophenone thiosemicarbazone, (E)-4-bromoacetophenone thiosemicarbazone have been investigated in solution using NMR. The results confirm the formation of different O-H…O type intramolecular hydrogen bonds in the oxime molecule. The rotational barrier energy and energy of intramolecular hydrogen bonds have been determined.

Keywords: Molecular dynamics; Hydrogen bond; Conformers

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About the article

Published Online: 2011-11-24

Published in Print: 2012-02-01


Citation Information: Open Chemistry, Volume 10, Issue 1, Pages 241–247, ISSN (Online) 2391-5420, DOI: https://doi.org/10.2478/s11532-011-0135-2.

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© 2011 Versita Warsaw. This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License. BY-NC-ND 3.0

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