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• W2344395462 abstract "A series of 1,3-bis(2′-hydroxyethyl)imidazolium ionic liquids is reported where 1H NMR chemical shift values and thermal stabilities (Td), as determined by thermogravimetric analysis, are correlated with the hydrogen bonding capability of various anions ([Cl−], [Br−], [CF3CO2−], [NO2−], [MsO−], [NO3−], [TfO−], [BF4−], [NTf2−], and [PF6−]). Use of anions with the strongest hydrogen bonding capability, such as chloride [Cl−], bromide [Br−], and trifluoroacetate [CF3CO2−], led to the furthest observed downfield chemical shift values in DMSO-d6 and the poorest thermal stabilities ([CF3CO2−] < 200 °C). Thermal stabilities in excess of 350 °C and upfield chemical shift values were observed for ionic liquids, which employed the weakly coordinating triflate [OTf−], tetrafluoroborate [BF4−], or bis(trifluoromethylsulfonyl)imide [NTf2−] anion. Optimized structures of selected ionic liquids, as determined by density functional theory calculations at the B3LYP/6-31G + (d,p) level, indicated that the anion preferred to be located above the imidazolium ring and in close proximity to the hydroxyl groups. Calculated dissociation energies (ΔE) and a comparison of key bonding distances (C2―H, (C2)H···X, O―H, and (O)H···X) also confirmed this structural preference. Copyright © 2013 John Wiley & Sons, Ltd." @default.
• W2344395462 created "2016-06-24" @default.
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• W2344395462 date "2013-09-05" @default.
• W2344395462 modified "2023-09-23" @default.
• W2344395462 title "1,3-Bis(2′-hydroxyethyl)imidazolium ionic liquids: correlating structure and properties with anion hydrogen bonding ability" @default.
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• W2344395462 doi "https://doi.org/10.1002/poc.3198" @default.
• W2344395462 hasPublicationYear "2013" @default.
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