Microwave dielectric relaxation studies of hydrogen bonded polar binary mixtures of isobutanol and aniline

Abstract

The molecular interaction between the polar systems of isobutanol and aniline for various mole fractions at different temperatures were studied by determining the frequency dependent complex dielectric permittivity by using the open-ended coaxial probe technique method in the microwave frequency range from 20MHz to 20GHz. The geometries are optimized at HF and B3LYP with 6-31G and 6-31G+ basis sets. Dipole moments of the binary mixtures are calculated from the dielectric data using Higasi’s method and compared with the theoretical results. Conformational analysis of the formation of hydrogen bond between the isobutanol and aniline is supported by the FT-IR and molecular polarizability calculations. The average relaxation times are calculated from their respective Cole–Cole plots. The activation entropy, activation enthalpy and Kirkwood correlation ‘g’ factor, excess permittivities (εE), Bruggeman parameters (fB) have also been determined for isobutanol and aniline and the results were correlated.