Connecting chloride solvation with hydration in deep eutectic systems
Maria Enrica Di Pietro, Oliver S. Hammond, Adriaan van den Bruinhorst, Alberto Mannu, Agı́lio A. H. Pádua, Andrea Mele, Margarida Costa Gomes
Abstract
The Deep Eutectic Solvents/Systems (DESs) choline chloride:urea (xChCl = 0.33) and choline chloride:glycolic acid (xChCl = 0.5) were investigated using viscosity-corrected 35Cl NMR spectroscopy and molecular dynamics simulations to probe the role of chloride as a function of water content. Three Cl- solvation regimes are revealed, with high-symmetry environments for pure and highly dilute DES, and an unusual low-symmetry interstitial region where the primary coordination sphere is most disordered.
Topics & Concepts
Choline chlorideEutectic systemSolvationChlorideChemistryDeep eutectic solventInorganic chemistryUreaViscosityPhysical chemistryCrystallographyIonThermodynamicsOrganic chemistryPhysicsMicrostructureIonic liquids properties and applicationsChemical and Physical Properties in Aqueous SolutionsThermodynamic properties of mixtures