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Vol. 34 No. 5 (2022): Vol 34 Issue 5, 2022

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Ultrasonic, Refractometry, FT-IR and DFT Studies on Hydrogen Bonding Interactions of Ethylene Glycol/Hexanol Binary Mixtures

https://doi.org/10.14233/ajchem.2022.23627
K. Srisanthi
Department of Physics, Acharya Nagarjuna University, Nagarjuna Nagar-522510, India
T. Vishwam
Department of Physics, GITAM (Deemed to be University)-Hyderabad Campus, Rudraram, Patancheru (M)-502329, India
S. Sreehari Sastry
Department of Physics, Acharya Nagarjuna University, Nagarjuna Nagar-522510, India

Corresponding Author(s) : S. Sreehari Sastry

sreeharisastry@yahoo.com

Asian Journal of Chemistry, Vol. 34 No. 5 (2022): Vol 34 Issue 5, 2022

Abstract

The density (ρ), ultrasonic velocity (U), viscosity (η) and refractometry (nD) measurements are performed on the ethylene glycol/hexanol binary liquid mixtures in the range of temperatures 298.15-323.15 K. Various parameters such as adiabatic compressibility (β), acoustic impedance (Z), intermolecular free length (Lf), internal pressure (π) and relaxation time (τ) were calculated based on the experimentally determined values. The excess parameters were calculated to interpret the hydrogen bond networks and environment associated with the liquid solution. The interaction energy between the mixture components is analyzed using the DFT-B3LYP calculations using 6-311+G(d,p), 6-311++G(d,p) basis sets. The FT-IR spectra support the hydrogen bond in the system. The optimization energy, dipole moment of the components were also represented to correlate the measured parameters. The various theories of ultrasonic velocities and mixing rules for refractive index values were also attempted to estimate the ultrasonic speed, refractive index values of the ethylene glycol/hexanol binary system.

Keywords

Ethylene glycol Hexanol Hydrogen bond Ultrasonic parameters Gibbs free energy DFT Mixing rules
Srisanthi, K., Vishwam, T., & Sreehari Sastry, S. (2022). Ultrasonic, Refractometry, FT-IR and DFT Studies on Hydrogen Bonding Interactions of Ethylene Glycol/Hexanol Binary Mixtures. Asian Journal of Chemistry, 34(5), 1171–1182. https://doi.org/10.14233/ajchem.2022.23627
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