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

Authors

  • 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

Keywords:

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

Abstract

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.

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International Journal of Scientific Research in Science, Engineering and Technology

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Published

2017-12-31

Issue

Volume 3, Issue 8, November-December-2017

Section

Research Articles

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How to Cite

[1]
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.