Issue 19, 2016
From the journal:

Physical Chemistry Chemical Physics

Determination of Kamlet–Taft parameters for selected solvate ionic liquids†

Daniel J. Eyckens,ab   Baris Demir,a   Tiffany R. Walsh,a   Tom Weltonc  and  Luke C. Henderson*ab  

* Corresponding authors

a Institute for Frontier Materials, Deakin University, Waurn Ponds Campus, Geelong, Victoria, Australia
E-mail: luke.henderson@deakin.edu.au

b Strategic Research Centre for Chemistry and Biotechnology, Deakin University, Waurn Ponds Campus, Geelong, Victoria, Australia

c Department of Chemistry, Imperial College London, South Kensington, London, UK

Abstract

The normalised polarity ENT and Kamlet–Taft parameters of recently described solvate ionic liquids, composed of lithium bis(trifluoromethyl)sulfonimide (LiTFSI) in tri- (G3TFSI) or tetraglyme (G4TFSI) have been determined and compared to the parent glyme (G3 and G4). We show that these solvate ionic liquids have a high polarity (G3TFSI, (ENT) = 1.03; G4TFSI, (ENT) = 1.03) and display very high electron pair accepting characteristics (G3TFSI, α = 1.32; G4TFSI, α = 1.35). Molecular dynamics simulations suggest that the chelated lithium cation is responsible for this observation. The relatively small hydrogen bond acceptor (β) values for these systems (G3TFSI, β = 0.41; G4TFSI, β = 0.37) are thought to be due primarily to the TFSI anion, which is supplemented slightly by the glyme oxygen atom. In addition, these solvate ionic liquids are found to have a high polarisability (G3TFSI, π* = 0.94; G4TFSI, π* = 0.90).

Graphical abstract: Determination of Kamlet–Taft parameters for selected solvate ionic liquids

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Article information

DOI
https://doi.org/10.1039/C6CP01216G
Article type
Communication
Submitted
23 Feb 2016
Accepted
19 Apr 2016
First published
20 Apr 2016

Phys. Chem. Chem. Phys., 2016,18, 13153-13157

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Determination of Kamlet–Taft parameters for selected solvate ionic liquids

D. J. Eyckens, B. Demir, T. R. Walsh, T. Welton and L. C. Henderson, Phys. Chem. Chem. Phys., 2016, 18, 13153 DOI: 10.1039/C6CP01216G

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