Comprehensive physicochemical evaluation of deep eutectic solvents: quantum-chemical calculations and electrochemical stability

The focus of the investigation is physicochemical properties (electrical conductivity, electrochemical window) and theoretical study of stability of the formed deep eutectic solvents (DESs). Quantum-chemical calculations have been performed to predict the formation of solvents with higher stability....

Full description

Saved in:
Bibliographic Details
Published in:Molecular Crystals and Liquid Crystals 2023-01, Vol.750 (1), p.60-68
Main Authors: Vorobyova, V. I., Linyucheva, O. V., Chygyrynets, O. E., Skiba, M. I., Vasyliev, G. S.
Format: Article
Language:English
Subjects:
Choline
conductivity
deep eutectic solvent
Electrical resistivity
electrochemical stability
Electrochemistry
Eutectics
Evaluation
Hydrogen
Hydrogen bonds
Lactic acid
Mathematical analysis
Moisture content
Physicochemical properties
Quantum chemistry
Sodium acetate
Solvents
Stability analysis
Synthesis
Urea
Water content
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:The focus of the investigation is physicochemical properties (electrical conductivity, electrochemical window) and theoretical study of stability of the formed deep eutectic solvents (DESs). Quantum-chemical calculations have been performed to predict the formation of solvents with higher stability. The reported results reveal a complete description of fluid's characteristics which of the components is the most effective donor for creation hydrogen bond with hydrogen bond acceptor. Two DESs have been synthesized by using of choline chloride as hydrogen bond acceptors (HBAs) and Urea and Lactic acid as hydrogen bond donors (HBDs). Also, DES have been synthesized by using of Lactic acid as hydrogen bond acceptors (HBAs) and Sodium Acetate as hydrogen bond donors (HBDs). The electrical conductivity of deep eutectic solvents was measured and the width of electrochemical window was evaluated using cycling voltammetry depending on water content in the solvent (0-25%).
ISSN:1542-1406
1563-5287
1527-1943
DOI:10.1080/15421406.2022.2073037