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Title: Volumetric, viscometric and spectroscopic investigations of binary mixtures of o-chlorophenol with ethers
Authors: Shelar, R N
Patil, A V
Dighavkar, C G
Borse, R Y
Keywords: Volumetric;Viscometric;o-chlorophenol;Ethers;Density Functional Theory;Spectroscopic
Issue Date: Jul-2016
Publisher: NISCAIR-CSIR, India
Abstract: Density and viscosity of o-chlorophenol with tetrahydrofuran, diphenyl ether and tertbutylmethyl ether at 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 been 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 been revealed by the behavior of the excess parameters. The sign and magnitude of excess parameters clearly indicates the presence of specific interactions among the components. These parameters have been studied 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 been analyzed and their characterization has been made with the help of Gauss view visualization program utilizing the data obtained from the Gaussian 03 calculation.
Page(s): 463-470
ISSN: 0975-1041 (Online); 0019-5596 (Print)
Appears in Collections:IJPAP Vol.54(07) [July 2016]

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