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. Attached Files Name Description MIMEType Size Downloads Title Determination of Kamlet–Taft parameters for selected solvate ionic liquids Author(s) Eyckens, Daniel J. Demir, Baris Walsh, Tiffany R. orcid.org/0000-0002-0233-9484 Welton, Tom 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 Document type: Journal Article Collections: Institute for Frontier Materials Centre for Biotechnology, Chemistry and Systems Biology Related Links Link Description Connect to Elements publication management system Go to link with your DU access privileges   Connect to published version Go to link with your DU access privileges     Unless expressly stated otherwise, the copyright for items in DRO is owned by the author, with all rights reserved. Versions Version Filter Type Mon, 09 May 2016, 08:57:17 EST Tue, 10 May 2016, 05:00:08 EST Tue, 10 May 2016, 06:07:39 EST Tue, 10 May 2016, 10:31:01 EST Tue, 10 May 2016, 10:35:28 EST Tue, 14 Jun 2016, 09:33:03 EST Tue, 14 Jun 2016, 09:34:38 EST Mon, 18 Jul 2016, 16:06:48 EST Wed, 09 Nov 2016, 11:47:33 EST Filtered Full Citation counts:   Cited 5 times in TR Web of Science Cited 3 times in Scopus Search Google Scholar Access Statistics: 103 Abstract Views, 1 File Downloads  -  Detailed Statistics Created: Mon, 09 May 2016, 08:57:17 EST

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