Thermodynamics and Spectroscopic Investigations of Binary Mixtures of o-Chlorophenol with ethers

Publication Date : 17/02/2017

Author(s) :

Rajendra N Shelar.

Volume/Issue :
Volume 3
Issue 2
(02 - 2017)

Abstract :

Density and viscosity of o-chlorophenol with tetrahydrofuran, diphenyl ether and tertbutylmethyl ether at the different temperatures and at atmospheric pressure and spectroscopic study at atmospheric temperature and pressure have been measured experimentally. The excess molar volumes and deviation in viscosities have calculated across the mole composition and interpreted for the intra and intermolecular association among like and unlike molecules. The influence of structure of components on the existing interaction has also been revealed by the behaviour of the excess parameters. The sign and magnitude of excess parameters clearly indicate the presence of specific interactions among the components. These parameters have been studies on the basis of dipole-dipole interaction and hydrogen bonding. The molecular structure and vibrational spectra have been investigated by Density Functional Theory (DFT) using standard B3LYP functional and 6-31G (d, p) basis set. Computed values at DFT (B3LYP)/6-31G (d, p) have analyzed and their characterization was made with help of Gauss view visualization program utilizing the data obtained from the Gaussian 03 calculation Keywords: Thermodynamics, o-Chlorophenol, ethers, Density Functional Theory (DFT). Spectroscopic.

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