Open AccessUltrasonic, Refractometry, FT-IR and DFT Studies on Hydrogen Bonding Interactions of Ethylene Glycol/Hexanol Binary Mixtures
Author(s) -
K. Srisanthi,
T. Vishwam,
S. Sreehari Sastry
Publication year - 2022
Publication title -
asian journal of chemistry/asian journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.145
H-Index - 34
eISSN - 0975-427X
pISSN - 0970-7077
DOI - 10.14233/ajchem.2022.23627
Subject(s) - refractometry , chemistry , ethylene glycol , hydrogen bond , intermolecular force , refractive index , viscosity , ultrasonic sensor , hexanol , thermodynamics , analytical chemistry (journal) , alcohol , organic chemistry , molecule , materials science , physics , optoelectronics , acoustics
The density (ρ), ultrasonic velocity (U), viscosity (η) and refractometry (nD) measurements areperformed on the ethylene glycol/hexanol binary liquid mixtures in the range of temperatures298.15-323.15 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 onthe experimentally determined values. The excess parameters were calculated to interpret the hydrogenbond networks and environment associated with the liquid solution. The interaction energy betweenthe 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 optimizationenergy, 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 alsoattempted to estimate the ultrasonic speed, refractive index values of the ethylene glycol/hexanolbinary system.