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

• Authors: Ibrahim Mamedov , Uwe Eichhoff , Abel Maharramov , Musa Bayramov , Yegana Mamedova
• Languages of publication: EN

Abstracts

EN

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

EN

Molecular dynamics; Hydrogen bond; Conformers

• Publisher: De Gruyter Open
• Journal: Open Chemistry
• Year: 2012
• Volume: 10
• Issue: 1
• Pages: 241-247

Dates

published

1 - 2 - 2012

online

24 - 11 - 2011

Contributors

author

Ibrahim Mamedov

• Baku State University

author

Uwe Eichhoff

• Bruker BioSpin GmbH

author

Abel Maharramov

• Baku State University

author

Musa Bayramov

• Baku State University

author

Yegana Mamedova

• Baku State University

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Identifiers

DOI

10.2478/s11532-011-0135-2