Chemistry - A European Journal · 2012 · 223 citations · 88 references
Natural SciencesChemistryInorganic ChemistryOrganic ChemistrySpectroscopyCrystal ChemistryInorganic SpectroscopyIonic LiquidsSolvent Effects On Electronic SpectraSolvent Effects On Spectra
We present for the first time Gutmann donor and acceptor numbers for a series of 36 different ionic liquids that include 26 distinct anions. The donor numbers were obtained by (23)Na NMR spectroscopy and show a strong dependence on the anionic component of the ionic liquid. The donor numbers measured vary from -12.3 kcal mol(-1) for the ionic liquid containing the weakest coordinative anion [emim][FAP] (1-ethyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate), which is a weaker donor than 1,2-dichloroethane, to 76.7 kcal mol(-1) found for the ionic liquid [emim][Br], which exhibits a coordinative strength in the range of tertiary amines. The acceptor numbers were measured by using (31)P NMR spectroscopy and also vary as a function of the anionic and cationic component of the ionic liquid. The data are presented and correlated with other solvent parameters like the Kamlet-Taft set of parameters, and compared to the donor numbers reported by other groups.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13