Connecting chloride solvation with hydration in deep eutectic systems | Zendy

Maria Enrica Di Pietro | Zendy; Oliver S. Hammond | Zendy; Adriaan van den Bruinhorst | Zendy; Alberto Mannu | Zendy; Agı́lio A. H. Pádua | Zendy; Andrea Mele | Zendy; Margarida Costa Gomes | Zendy

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Connecting chloride solvation with hydration in deep eutectic systems

Author(s) -

Maria Enrica Di Pietro,

Oliver S. Hammond,

Adriaan van den Bruinhorst,

Alberto Mannu,

Agı́lio A. H. Pádua,

Andrea Mele,

Margarida Costa Gomes

Publication year - 2020

Publication title -

physical chemistry chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.053

H-Index - 239

eISSN - 1463-9084

pISSN - 1463-9076

DOI - 10.1039/d0cp05843b

Subject(s) - choline chloride , eutectic system , solvation , chloride , chemistry , deep eutectic solvent , inorganic chemistry , urea , viscosity , crystallography , ion , thermodynamics , organic chemistry , physics , microstructure

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.

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