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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Determination of Kamlet–Taft parameters for selected solvate ionic liquids
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).
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