RT info:eu-repo/semantics/article
T1 Intermolecular forces in 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide + ethanol mixtures
A1 Alcalde García, Rafael T.
A1 Atilhan, Mert
A1 Aparicio Martínez, Santiago
K1 Ionic liquid
K1 Imidazolium
K1 Molecular solvent
K1 Mixtures
K1 DFT
K1 Raman
K1 Hydrogen bonding
K1 Chemistry, Physical and theoretical
K1 Química física
AB 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.
PB Elsevier
SN 0167-7322
YR 2018
FD 2018-05
LK http://hdl.handle.net/10259/4783
UL http://hdl.handle.net/10259/4783
LA eng
NO Junta de Castilla y León (Spain, project BU324U14)
DS Repositorio Institucional de la Universidad de Burgos
RD 24-nov-2024