Influence of oxygen functionalization on physico-chemical properties of imidazolium based ionic liquids – Experimental and computational study

In this work, four different oxygen functionalized ionic liquids, 1-(3-hydroxypropyl)-3-methylimidazolium chloride,[OHC3mIm][Cl], 1-(3-hydroxypropyl)-3-ethylimidazolium chloride [OHC3eIm][Cl], 1-(2-oxobutyl)-3-methylimidazolium chloride, [C2OC2mIm][Cl] and 1-(4-hydroxy-2-oxobutyl)-3-methylimidazoliu...

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Bibliographic Details
Published in:Arabian journal of chemistry 2020-01, Vol.13 (1), p.1598-1611
Main Authors: Tot, Aleksandar, Podlipnik, Črtomir, Bešter-Rogač, Marija, Gadžurić, Slobodan, Vraneš, Milan
Format: Article
Language:English
Subjects:
DFT calculation
Hydration number
Molecular dynamic simulation
Oxygen functionalized ILs
Transport properties
Volumetric properties
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Summary:In this work, four different oxygen functionalized ionic liquids, 1-(3-hydroxypropyl)-3-methylimidazolium chloride,[OHC3mIm][Cl], 1-(3-hydroxypropyl)-3-ethylimidazolium chloride [OHC3eIm][Cl], 1-(2-oxobutyl)-3-methylimidazolium chloride, [C2OC2mIm][Cl] and 1-(4-hydroxy-2-oxobutyl)-3-methylimidazolium chloride, [OHC2OC2mIm][Cl] were synthesized in liquid state at room temperature. Detailed physico-chemical characterisation (density, viscosity and conductivity) supported with computational simulations for pure ionic liquid and their aqueous solutions were performed. Based on these examinations, interactions in pure ionic liquids and interactions between water and synthesized ionic liquids were discussed.
ISSN:1878-5352
1878-5379
DOI:10.1016/j.arabjc.2017.12.011