Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10259/4783
Título
Intermolecular forces in 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide + ethanol mixtures
Publicado en
Journal of Molecular Liquids. 2018, V. 258, p. 1-9
Editorial
Elsevier
Fecha de publicación
2018-05
ISSN
0167-7322
DOI
10.1016/j.molliq.2018.02.064
Abstract
The characteristics of intermolecular forces in 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide + ethanol mixtures were studied in the full composition range using a combined experimental and theoretical approach. Molecular clusters were used to model the short-range interactions between the ionic liquid and the primary alcohol, studied using density functional theory calculations, inferring preferred interaction sites, strength of interactions and topological characteristics of intermolecular forces. Dynamic viscosity and refraction index were measured as a function of mixture composition and temperature and analysed in terms of evolution of intermolecular forces. Raman IR studies were carried out and the analysis of selected spectral regions allowed to characterize hydrogen bonding evolution for all the possible interacting sites.
Palabras clave
Ionic liquid
Imidazolium
Molecular solvent
Mixtures
DFT
Raman
Hydrogen bonding
Materia
Chemistry, Physical and theoretical
Química física
Versión del editor
Aparece en las colecciones
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