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DFT methods in combination with NMR spectroscopy are used to investigate possible variants of the mol. structure of the ion pairs of the ionic liq. (IL) 1-ethyl-3-methylimidazolium tetrafluoroborate, [EMIM][BF4], in dichloromethane. According to the comput ...
The soly. of H2S in a series of 1-butyl-3-methylimidazolium ([bmim]+) based ionic liqs. (ILs) with different anions, chloride, tetrafluoroborate ([BF4]-), hexafluorophosphate ([PF6]-), triflate ([TfO]-), and bis(trifluoromethyl)sulfonylimide ([Tf2N]-), and ...
D. functional theory methods in combination with vibrational spectroscopy are used to investigate possible variants of mol. structure of the ion pairs of several imidazolium-based ionic liqs. (ILs). Multiple stable structures are detd. with the anion posit ...
The Diels-Alder reaction has been examd. in room temp. ionic liqs. with high molar concns. of Lewis acids under various conditions. A molar ratio of 10% catalyst gave a large increase in the selectivity and the yield of the reaction. The effect of catalyst ...
The IR and Raman spectra and conformations of the ionic liquid 1-ethyl-3-methyl-1H-imidazolium tetrafluoroborate, [EMIM][BF4] (6), were analyzed within the framework of scaled quantum mechanics (SQM). It was shown that SQM successfully reproduced the spect ...
The effect of pressure on the Diels-Alder reaction was examined in room temperature ionic liquids, followed by high-pressure FT-IR spectroscopy using pressures up to 150 MPa. Pressure enhances the kinetic sensitivity of the reaction. The kinetic effec ...
Room temperature ionic liquids comprise an unique class of solvent composed of organic and inorganic-based ions that are molten under ambient conditions. They are characterised by high solvent polarity and low vapour pressure, and can be tailored to have s ...
The Diels-Alder reaction between cyclopentadiene and methyl acrylate in ionic liquids has been studied in detail. The effect of contamination of the ionic liquids by common impurities, viz. sodium and chloride ions, and water, on the selectivity has been i ...
