Relaxation dynamics of l-alanine in water medium investigated by dielectric relaxation spectroscopy.

Abstract

The complex dielectric permittivity of L-alanine in aqueous medium at different concentrations and different temperatures were measured in the microwave (0.02 < ν/GHz < 20) frequency region by using open-ended coaxial probe technique. From the reflection coefficient and impedance data, the real and imaginary part of the dielectric permittivity values is determined. It is observed that there is a decrease in the real part of the dielectric permittivity up to certain frequency and an increase in the imaginary part of the dielectric permittivity with increase in the molar concentration of L-alanine in water medium. Based on the experimental data the average relaxation time values are calculated and its behavior is analyzed in terms of bound water and free water molecules. The theoretical dipole moment of L-alanine is calculated at gaseous state as well as in aqueous medium by using PCM and IEFPCM model at HF, DFT/B3LYP and MP2 calculations using 6-311G* basis set. Analysis between experimentally determined parameters and computed dipole moments were discussed. The mean molecular polarizability is calculated from the Lippincott δ function potential model and compared with the Le Fèvre method of polarizability values.