Dielectric relaxation and thermodynamical parameters of hydrogen bonded complexes for Heptanamide and Pentanamide with halogenated phenols in benzene

• Published in: Journal of molecular liquids 2022-10, Vol.363, p.119853, Article 119853
• Main Authors: Basha, A. Aathif, Khan, F. Liakath Ali, Hussain, B.H Kabir
• Format: Article
• Language: English
• Subjects: Alkanamides; DFT; H-bonding; Halogenated phenols; Microwave benches X,J-band; Relaxation time; Thermodynamics parameter
• ISSN: 0167-7322; 1873-3166
• DOI: 10.1016/j.molliq.2022.119853

[Display omitted] •Dielectric spectroscopy, investigation of the various dielectric parameters like (ε׳), (ε''), (ε0) and (ε∞) have been carried out.•Hydrogen bonded complexes of Alkanamides with Halogenated Phenols in benzene were performed.•Experimental data for both X and J-bands at 1:1 as shown for static dielectric constant and relaxation time.•Dipole moments of all compounds were determined theoretically and experimentally.•Thermodynamics parameters (ΔFε, ΔHε, ΔSε) were calculated and compared to the associated viscosity parameters. In the experiment and dielectric relaxation setup at 303 K, X-band (9.34 GHz) and J-band (7.22 GHz) microwave benches were employed. In benzene, dielectric experiments were done on hydrogen-bonded complexes of Heptanamide and Pentanamide with 4-bromophenol, 4-chlorophenol, 4-iodophenol, and 4-fluorophenol. Microwave dielectric spectra for binary mixtures of alkanamides with Halogenated phenols have been determined over the frequency range of 10 MHz to 20 GHz at 303 K. Dielectric properties such as (ε׳), (ε''), (ε0) and (ε∞) have been investigated. The geometries are optimized at B3LYP with 6-311G++ basis set. Dipole moments of the binary mixtures are calculated from the dielectric data using Higasi’s method and compared with the theoretical results. The relaxation periods (τ0) for ternary liquid combinations were measured using Higasi's approach. According to the ternary data, the relaxation time is highest for 1:1 complexes. According to the system under examination, the relaxation time value increases as the concentration of solute increases. For various ternary mixes and molecular conformations of these systems, the relaxation periods (τ0) of the two bands are compared. The dielectric relaxation energy parameters of thermodynamics (ΔFε, ΔHε, ΔSε) of amides with halogenated phenols in benzene were calculated and compared to the associated viscosity parameters.