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

• Published in: Molecular Crystals and Liquid Crystals Vol. 750; no. 1; pp. 60 - 68
• Main Authors: Vorobyova, V. I., Linyucheva, O. V., Chygyrynets, O. E., Skiba, M. I., Vasyliev, G. S.
• Format: Journal Article
• Language: English
• Published: Philadelphia Taylor & Francis 02.01.2023; Taylor & Francis Ltd
• 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
• ISSN: 1542-1406; 1563-5287; 1527-1943
• DOI: 10.1080/15421406.2022.2073037

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....