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Updated: Dec 31, 2025
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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
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Probing the electronic structure of ether functionalised ionic liquids using X-ray photoelectron spectroscopy.
Ejike J Dick1, Adam E A Fouda2, Nicholas A Besley2
1School of Chemistry, The University of Nottingham, Nottingham NG7 2RD, UK. peter.licence@nottingham.ac.uk and The GSK Carbon Neutral Laboratory, The University of Nottingham Innovation Park, Triumph Road, Nottingham NG7 2TU, UK.
Physical Chemistry Chemical Physics : PCCP
|January 3, 2020
Summary
Altering substituent groups in functionalized ionic liquids (ILs) tunes charge distribution. Moving an oxygen atom in an imidazolium side chain unexpectedly changed cation charge density, confirmed by X-ray photoelectron spectroscopy and theory.
Area of Science:
- Materials Science
- Physical Chemistry
- Computational Chemistry
Background:
- Functionalized ionic liquids (ILs) offer tunable properties through substituent modification.
- Understanding charge distribution in ILs is crucial for designing advanced materials.
Purpose of the Study:
- To investigate the impact of substituent atom positioning on the electronic structure of imidazolium-based ionic liquids.
- To explore how minor structural changes affect charge density distribution within IL cations.
Main Methods:
- X-ray photoelectron spectroscopy (XPS) was employed to experimentally probe the electronic structure.
- Density functional theory (DFT) calculations were used to support and interpret experimental findings.
Main Results:
- Experimental XPS measurements revealed an unexpected variation in charge density distribution within the IL cation.
- A single atomic position shift of an oxygen atom in a poly-ether side chain significantly altered the charge distribution.
Conclusions:
- The precise placement of substituent atoms, even by a single position, critically influences the electronic properties of ionic liquids.
- This study highlights the sensitivity of IL charge distribution to subtle structural modifications, offering insights for tailored material design.
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