ABSTRACT

The thermochemical study of hydrogen bonding of water with different proton acceptor ionic liquids was carried out. Along with the available experimental data, the solution enthalpies of water in [BMIM][TfO], [BMIM][BF4] and [BMIM][PF6] were measured. The hydrogen bonding enthalpies of water with various ionic liquids were determined by using previously developed method of solvation enthalpy separation into the nonspecific solvation enthalpy and the specific solute-solvent interaction enthalpy (hydrogen bonding). The findings indicate the formation of a complex, where one molecule of water is bound to two molecules of ionic liquids. Similarly, hydrogen bonding enthalpies of methanol with the same proton acceptor ionic liquids were determined.

Compounds

#	Formula	Name
1	H2O	water
2	C8H15BF4N2	1-butyl-3-methylimidazolium tetrafluoroborate
3	C9H15F3N2O3S	1-butyl-3-methylimidazolium trifluoromethanesulfonate
4	C8H15F6N2P	1-butyl-3-methylimidazolium hexafluorophosphate

Datasets

The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type	Compound-#	Property	Variable	Phase	Method	#Points
POMD	1 2	Molar enthalpy of solution, kJ/mol ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid Mole fraction - 1; Liquid	Liquid	Titration calorimetry	1
POMD	1 3	Molar enthalpy of solution, kJ/mol ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid Mole fraction - 1; Liquid	Liquid	Titration calorimetry	1
POMD	1 4	Molar enthalpy of solution, kJ/mol ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid Mole fraction - 1; Liquid	Liquid	Titration calorimetry	1

Thermodynamics Research Center / ThermoML | Thermochimica Acta

The hydrogen bonding enthalpies of water and methanol in ionic liquids

Khachatrian, Artashes A., Solomonov, Boris N.

ABSTRACT