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Published on: December 20, 2016
Structural Effects of Water Addition in Triglyme-Based Solvate Ionic Liquid Electrolytes
Jule Kristin Philipp-Taube1, Anne Strate1, Fabian Martin Januszewski1
1Institut für Chemie, Physikalische und Theoretische Chemie, Universität Rostock, Albert-Einstein-Straße 27, D-18059 Rostock, Germany.
The Journal of Physical Chemistry. B
|June 3, 2026
Summary
Adding small amounts of water to solvate ionic liquids (SILs) creates novel water-in-solvate-ionic-liquid (WISIL) electrolytes. These hybrid electrolytes show a transition from dispersed water to water-water hydrogen bonds with increasing water content, optimizing properties within a narrow window.
Area of Science:
- Electrochemistry
- Materials Science
- Physical Chemistry
Background:
- Solvate ionic liquids (SILs) offer unique electrolyte properties.
- Water-in-salt (WIS) electrolytes also present advantages.
- Hybrid electrolytes combine benefits of both SILs and WIS electrolytes.
Purpose of the Study:
- Investigate hydrogen bonding in water-diluted SILs (WISIL electrolytes).
- Characterize water environments in [Li][NTf2]/triglyme mixtures.
- Determine the optimal water content for beneficial property alteration.
Main Methods:
- Fourier-transform infrared (FTIR) spectroscopy.
- Molecular dynamics (MD) simulations.
- Deuterium-oxide (D2O) exchange for spectral analysis.
Main Results:
- Identified distinct water environments: quasi-free, coordinated, and water-water hydrogen bonds.
- Observed a transition from dispersed water to hydrogen-bonded networks with increasing water content.
- MD simulations revealed initial water coordination within [Li(G3)]+ complexes, followed by disintegration upon dilution.
Conclusions:
- Water addition to SILs creates WISIL electrolytes with tunable properties.
- A narrow compositional window exists for optimizing physicochemical properties.
- Understanding water's role is crucial for designing advanced electrolytes.
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