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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding

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Published on: March 24, 2018

Understanding siloxane functionalised ionic liquids.

Heiko Niedermeyer¹, Mohd Azri Ab Rani, Paul D Lickiss

¹Chemistry Department, Imperial College London, London, SW7 2AZ, UK.

Physical Chemistry Chemical Physics : PCCP

|February 11, 2010

Summary

This summary is machine-generated.

This study reveals that functionalizing ionic liquids with siloxy groups, like in 1-methyl-3-pentamethyldisiloxymethylimidazolium chloride, enhances dynamic properties and reduces viscosity. These modifications improve ion mobility and cation response to electric fields.

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Area of Science:

Physical Chemistry
Materials Science
Computational Chemistry

Background:

Ionic liquids (ILs) offer tunable properties for various applications.
Understanding the impact of functionalization on IL behavior is crucial for designing advanced materials.
The siloxy group's influence on IL dynamics and viscosity remains an area for deeper investigation.

Purpose of the Study:

To investigate the ion-pairing and dynamic properties of a functionalized ionic liquid, 1-methyl-3-pentamethyldisiloxymethylimidazolium chloride [(SiOSi)C(1)C(1)im]Cl.
To elucidate the effect of the siloxy group on the viscosity and transport properties of the IL.
To compare the behavior of [(SiOSi)C(1)C(1)im]Cl with a conventional IL, 1-butyl-3-methylimidazolium chloride [C(4)C(1)im]Cl.

Main Methods:

Utilizing ab initio theoretical methods for computational analysis.
Complementing theoretical findings with experimental studies.
Analyzing ion-pair structural configurations, H-bonded networks, and rotational dynamics.

Main Results:

Ion-pairing energies of [(SiOSi)C(1)C(1)im]Cl are comparable to [C(4)C(1)im]Cl due to primary anion interaction with the imidazolium ring.
The siloxy chain introduces flexibility, reducing rotational barriers and enabling dynamic inter-conversion of cation conformers.
Coupled rotational motions and a flexible siloxane linkage enhance anion mobility, leading to reduced viscosity and improved transport properties.

Conclusions:

Functionalization with a siloxy group significantly enhances the dynamic properties of ionic liquids.
The flexibility of the siloxy linkage facilitates cation conformer inter-conversion and anion movement, reducing viscosity.
Enhanced dynamic properties, including cation response to electric fields, suggest potential for improved performance in electrochemical applications.