Fate of a Deep Eutectic Solvent upon Cosolvent Addition: Choline Chloride-Sesamol 1:3 Mixtures with Methanol.

ABSTRACT: The changes upon methanol (MeOH) addition in the structural arrangement of the highly eco-friendly deep eutectic solvent (DES) formed by choline chloride (ChCl) and sesamol in 1:3 molar ratio have been studied by means of attenuated total reflection Fourier transform infrared spectroscopy, small- and wide-angle X-ray scattering (SWAXS), and molecular dynamics simulations. The introduction of MeOH into the DES promotes the increase of the number of Cl-MeOH hydrogen bonds (HBs) through the replacement of sesamol and choline molecules from the chloride anion coordination sphere. This effect does not promote the sesamol-sesamol, choline-choline, and sesamol-choline interactions, which remain as negligible as in the pure DES. Differently, the displaced sesamol and choline molecules are solvated

SUBMITTER: Busato M 

PROVIDER: S-EPMC8442355 | biostudies-literature | 2021 Sep

REPOSITORIES: biostudies-literature