Connecting chloride solvation with hydration in deep eutectic systems

Abstract

The Deep Eutectic Solvents/Systems (DESs) choline chloride:urea (x_ChCl = 0.33) and choline chloride:glycolic acid (x_ChCl = 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.