SPECTRAL FEATURES AND HYDROGEN BOND STRUCTURE OF AQUEOUS SOLUTIONS OF ETHANOL

Authors

Dilbar BOZOROVA, Ion-plasma and Laser Technologies Institute, Tashkent, UzbekistanFollow
Shukur GOFUROV, University of Tsukuba, Tsukuba, JapanFollow
Mavlonbek ZIYAYEV, Institute of Bioorganic Chemistry, Tashkent, UzbekistanFollow
Abdulmutallib KOKHKHAROV, Ion-plasma and Laser Technologies Institute, Tashkent, UzbekistanFollow
Oksana ISMAILOVA, Uzbekistan-Japan Innovation Center of Youth, Tashkent, UzbekistanFollow

Abstract

The aim of this work is develop an approach that makes it possible to study the spectral properties and structure of intermolecular hydrogen bonds in aqueous solutions of ethanol formed in systems whose existence in a gaseous medium or an isolated state is practically impossible. This approach bases on the combined use of infrared spectroscopy and molecular dynamics (MD) methods. An analysis give the structural reorganization of water molecules depending on the concentration of ethanol alcohol. It has been shown that the method of molecular dynamics with classical force fields makes it possible to explicitly take into account the molecules of the solvent and solute, and, thus, to investigate hydrogen bonds in the system and to interpret with the experimental data obtained by vibrational spectroscopy.

Recommended Citation

BOZOROVA, Dilbar; GOFUROV, Shukur; ZIYAYEV, Mavlonbek; KOKHKHAROV, Abdulmutallib; and ISMAILOVA, Oksana (2022) "SPECTRAL FEATURES AND HYDROGEN BOND STRUCTURE OF AQUEOUS SOLUTIONS OF ETHANOL," CHEMISTRY AND CHEMICAL ENGINEERING: Vol. 2021: No. 4, Article 5.
DOI: https://doi.org/10.51348/cce202145
Available at: https://cce.researchcommons.org/journal/vol2021/iss4/5