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Preparation of Binary and Ternary Deep Eutectic Systems
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Connecting chloride solvation with hydration in deep eutectic systems.

Maria Enrica Di Pietro1, Oliver Hammond, Adriaan van den Bruinhorst

  • 1Department of Chemistry, Materials and Chemical Engineering 'G. Natta', Politecnico di Milano, Piazza L. da Vinci 32, 20133 Milano, Italy. andrea.mele@polimi.it.

Physical Chemistry Chemical Physics : PCCP
|December 21, 2020
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Summary
This summary is machine-generated.

Researchers explored Deep Eutectic Solvents (DESs) using NMR and simulations. They discovered three distinct chloride ion solvation environments, revealing how water content impacts DES structure and disorder.

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Area of Science:

  • Physical Chemistry
  • Materials Science
  • Chemical Physics

Background:

  • Deep Eutectic Solvents (DESs) are tunable solvents with growing applications.
  • Understanding the local structure and ion dynamics in DESs is crucial for their design.
  • Chloride ions play a key role in the properties and behavior of many DESs.

Purpose of the Study:

  • To investigate the solvation environment of chloride ions in choline chloride-based DESs.
  • To determine the influence of water content on chloride ion coordination and symmetry.
  • To elucidate the structural changes within DESs as a function of composition.

Main Methods:

  • Viscosity-corrected 35Cl Nuclear Magnetic Resonance (NMR) spectroscopy.
  • All-atom molecular dynamics (MD) simulations.
  • Analysis of chloride ion coordination environments and symmetry.

Main Results:

  • Three distinct chloride ion solvation regimes were identified.
  • Pure and highly dilute DESs exhibit high-symmetry chloride environments.
  • An intermediate, low-symmetry region shows significant disorder in the primary coordination sphere.

Conclusions:

  • The study reveals a complex interplay between DES composition, water content, and chloride solvation.
  • DESs exhibit distinct structural changes affecting ion mobility and reactivity.
  • These findings provide fundamental insights into DES structure-property relationships.