Solubility of Phenolic Compounds in Pure Water and Alcohols with FTIR and DFT Study

Authors(2) :-Ramesh R. Pawar, Chandrakant S. Aher

Solubility studies are significant from the point of view of understanding the science of solution. The solubility of solute in solvent depends upon the nature of solute and solvent. Also depend upon operating temperature, pressure of the system. Mole fraction solubility (xB) of studied phenolic compounds were determined at (293.15, 298.15, 303.15 & 308.15) K. FTIR spectra were recorded for pure solvents and binary solutions prepared by dissolving phenolic compound in same solvents at room temperature. For structural variation, biological activity and industrial importance we select catechol, hydroquinone and 2-naphthol as studied phenolic compounds. Spectral data used to determine various molecular interactions. Theoretical study of experimental molecules and their combinations were optimized on Window-7, Intel core i5 system. Computational study using Gaussian 09W software, DFT method, B3LYP 6-31(G)d as basis set was performed to understand the fundamental interactions between solvent-solvent and solute-solvent molecules.

Authors and Affiliations

Ramesh R. Pawar
P. G. Department of Physical Chemistry, M.S.G. College Malegaon, Maharashtra. India
Chandrakant S. Aher
P. G. Department of Physical Chemistry, M.S.G. College Malegaon, Maharashtra. India

Solubility, Catechol, Hydroquinone, 2-Naphthol, FTIR, DFT.

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Publication Details

Published in : Volume 3 | Issue 8 | November-December 2017
Date of Publication : 2017-12-31
License:  This work is licensed under a Creative Commons Attribution 4.0 International License.
Page(s) : 778-790
Manuscript Number : IJSRSET1738215
Publisher : Technoscience Academy

Print ISSN : 2395-1990, Online ISSN : 2394-4099

Cite This Article :

Ramesh R. Pawar, Chandrakant S. Aher, " Solubility of Phenolic Compounds in Pure Water and Alcohols with FTIR and DFT Study, International Journal of Scientific Research in Science, Engineering and Technology(IJSRSET), Print ISSN : 2395-1990, Online ISSN : 2394-4099, Volume 3, Issue 8, pp.778-790, November-December-2017.
Journal URL : http://ijsrset.com/IJSRSET1738215

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