ABSTRACT

Solvation consequences of tetrabutylphosphonium methanesulfonate [Bu4PCH3SO3] in pure solvents (acetonitrile, methanol, nitromethane, formamide) and water have been studied by precise measurements on conductance and FTIR spectroscopy. The Fuoss conductance equation (1978) has been used to elucidate in terms of the limiting molar conductivity (o), the association constant (KA), and the association diameter (R) for ion-pair formation, whereas Fuoss Kraus theory has been used for triple-ion formation. Tetrabutylammonium tetraphenylborate [Bu4NBPh4] was taken as reference electrolyte to calculate the limiting ionic conductivity (o+-) of the ions along with the numerical evaluation of ion-pair formation constant. The molecular as well as ionic association have been discussed in terms of ion-dipole interactions, H-bonding formation, and configurational and structural concern. Functional groups of the pure solvents and IL in solvents have been taken into consideration for spectroscopic analysis through the shifting of the wavenumber of functional groups in the presence of the ionic liquid.

Compounds

#	Formula	Name
1	C17H39O3PS	tetrabutylphosphonium methanesulfonate
2	C2H3N	acetonitrile
3	CH4O	methanol
4	CH3NO2	nitromethane
5	H2O	water
6	CH3NO	formamide

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	Constraint	Phase	Method	#Points
POMD	2	Mass density, kg/m3 ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Vibrating tube method	1
POMD	2	Viscosity, Pa*s ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Concentric cylinders viscometry	1
POMD	3	Mass density, kg/m3 ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Vibrating tube method	1
POMD	3	Viscosity, Pa*s ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Concentric cylinders viscometry	1
POMD	4	Mass density, kg/m3 ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Vibrating tube method	1
POMD	4	Viscosity, Pa*s ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Concentric cylinders viscometry	1
POMD	5	Mass density, kg/m3 ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Vibrating tube method	1
POMD	5	Viscosity, Pa*s ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Concentric cylinders viscometry	1
POMD	6	Mass density, kg/m3 ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Vibrating tube method	1
POMD	6	Viscosity, Pa*s ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Concentric cylinders viscometry	1
POMD	2 1	Molar conductivity, S*m2/mol ; Liquid	Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Alternating current cell with electrodes	12
POMD	3 1	Molar conductivity, S*m2/mol ; Liquid	Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Alternating current cell with electrodes	12
POMD	4 1	Molar conductivity, S*m2/mol ; Liquid	Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Alternating current cell with electrodes	12
POMD	5 1	Molar conductivity, S*m2/mol ; Liquid	Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Alternating current cell with electrodes	12
POMD	6 1	Molar conductivity, S*m2/mol ; Liquid	Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Alternating current cell with electrodes	12

Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Exploration of Solvation Consequence of Ionic Liquid [Bu4PCH3SO3] in Various Solvent Systems by Conductance and FTIR Study

Ekka, D.[Deepak], Ray, T.[Tanusree], Roy, K.[Kanak], Roy, M. N.[Mahendra Nath]

ABSTRACT