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Determination of Kamlet–Taft parameters for selected solvate ionic liquids

Eyckens, Daniel J., Demir, Baris, Walsh, Tiffany R., Welton, Tom and Henderson, Luke C. 2016, Determination of Kamlet–Taft parameters for selected solvate ionic liquids, Physical chemistry chemical physics, vol. 18, pp. 13153-13157, doi: 10.1039/c6cp01216g.

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Title Determination of Kamlet–Taft parameters for selected solvate ionic liquids
Author(s) Eyckens, Daniel J.
Demir, Baris
Walsh, Tiffany R.ORCID iD for Walsh, Tiffany R. orcid.org/0000-0002-0233-9484
Welton, Tom
Henderson, Luke C.ORCID iD for Henderson, Luke C. orcid.org/0000-0002-4244-2056
Journal name Physical chemistry chemical physics
Volume number 18
Start page 13153
End page 13157
Total pages 5
Publisher Royal Society of Chemistry
Place of publication London, Eng.
Publication date 2016
ISSN 1463-9084
Summary The normalised polarity E and Kamlet-Taft parameters of recently described solvate ionic liquids, composed of lithium bis(trifluoromethyl)sulfonimide (LiTFSI) in tri- () or tetraglyme () have been determined and compared to the parent glyme ( and ). We show that these solvate ionic liquids have a high polarity (, (E) = 1.03; , (E) = 1.03) and display very high electron pair accepting characteristics (, α = 1.32; , 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 (, β = 0.41; , 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 (, π* = 0.94; , π* = 0.90).
Language eng
DOI 10.1039/c6cp01216g
Field of Research 030304 Physical Chemistry of Materials
030606 Structural Chemistry and Spectroscopy
02 Physical Sciences
03 Chemical Sciences
Socio Economic Objective 970103 Expanding Knowledge in the Chemical Sciences
HERDC Research category C1 Refereed article in a scholarly journal
ERA Research output type C Journal article
Copyright notice ©2016, Royal Society of Chemistry
Persistent URL http://hdl.handle.net/10536/DRO/DU:30083335

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Created: Mon, 09 May 2016, 08:57:17 EST

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