Densities of L-phenylalanine in water and in aqueous1-butyl-2,3-dimethylimidazolium bromide solutions, at T = (283.15, 288.15, 293.15, 298.15 and 303.15) K and atmospheric pressure have been measured. The apparent molar volumes, VU, standard partial molar volumes, VU 0 , limiting apparent molar expansibilities, EU 0 , and standard partial molar volumes of transfer, DVU 0 , have been calculated. The values of DVU 0 are negative. These volumetric parameters are interpreted in terms of various mixing effects between L-phenylalanine and [BMMIm]Br in aqueous solution. The 1H NMR measurements of binary mixtures of L-phenylalanine and [BMMIm]Br in D2O solutions have been carried out to understand the possible interactions. The results show that the interactions between the hydrophobic-hydrophobic groups of [BMMIm]Br and L-phenylalanine may be dominant in the studied system. Furthermore, the density functional theory calculations provide stabilization energies and suggest possible interaction ways that support the volumetric and NMR measurements.
Compounds
#
Formula
Name
1
C9H11NO2
L-phenylalanine
2
C9H17BrN2
1-butyl-2,3-dimethylimidazolium bromide
3
H2O
water
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.