Liquid structure of the choline chloride-urea deep eutectic solvent (reline) from neutron diffraction and atomistic modelling
The liquid structure of the archetypal Deep Eutectic Solvent (DES) reline, a 1:2 molar mixture of choline chloride and urea, has been determined at 303 K. This is the first reported liquid-phase neutron diffraction experiment on a cholinium DES. H/D isotopic substitution is used to obtain differential neutron scattering cross sections, and an Empirical Potential Structure Refinement (EPSR) model i