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Probing Interactions between Li+ and Ether-Functionalized Ionic Liquid Cations Using 17O and Quantitative 1H-7Li
Julius Kim Tiongson1, Elodie Salager2, Michaël Deschamps2
1Institute for Frontier Materials, Deakin University, Geelong, Victoria 3216, Australia.
The Journal of Physical Chemistry Letters
|April 30, 2026
Summary
Ionic liquid electrolytes (ILEs) with ether functional groups improve lithium-ion (Li+) mobility. Cation structure significantly impacts Li+ interactions and transport, crucial for battery performance.
Area of Science:
- Electrochemistry
- Materials Science
- Physical Chemistry
Background:
- Ether-functionalized ionic liquid electrolytes (ILEs) are promising for lithium-ion (Li+) batteries.
- Understanding Li+ solvation and transport within ILEs is critical for enhancing battery performance.
- The cation's structure, particularly the position of ether oxygen, influences Li+ interactions.
Purpose of the Study:
- To investigate how the cationic oxygen position in ether-functionalized ILEs affects Li+ interactions and mobility.
- To compare the impact of acyclic and cyclic ether cations on Li+ solvation and transport.
- To correlate cation structure with Li+ diffusivity and transport number.
Main Methods:
- Advanced nuclear magnetic resonance (NMR) spectroscopy techniques were utilized.
- Probed Li-cation interactions, local oxygen environments, and ion mobilities.
- Analyzed various ether-functionalized ionic liquids with fluorinated anions at high lithium bis(fluorosulfonyl)imide concentrations.
Main Results:
- Acyclic ether cations like N-(3-methoxypropyl)-N-methylpyrrolidinium [C3O1mpyr] showed more selective Li+ coordination and enhanced Li+ diffusivity compared to other acyclic structures.
- Cyclic ether cations exhibited varied Li+ interaction patterns, with Li+ often closest to the ring oxygen.
- Faster Li+ transport was observed in [C3O1mpyr] and 3-ethyl-3-methyl-oxazolidinium [C2moxa], correlating with stronger Li-cation coordination.
Conclusions:
- Cation structure, specifically the placement of ether oxygen, significantly influences Li+ interactions and solvation in ILEs.
- Tailoring cation design can optimize Li+ mobility and transport properties for improved battery electrolytes.
- The findings provide insights into the structure-property relationships governing ion transport in ionic liquid electrolytes.
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