Experimental and Theoretical estimations of dipole moments of monocyclic and bicyclic aromatic compounds
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Date
2019
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Publisher
Bulletin of Science Association of Nigeria
Abstract
Estimation of electric dipole moment, polarizability and molar polarizability of monocyclic (aniline and acetophenone) and bicyclic (1-naphthol and 4-hydroxycoumarin) aromatic compounds were carried out. A standard solution of the solutes were prepared in double distilled solvents ranging from polar to non-polar solvents (acetic acid, ethanol, propan-2-ol, chloroform and n-hexane). The refractive indices and the dielectric constants of the samples were determined in these solvents. The refractive index was measured from digital table 9 volts alkaline battery refractometer which measures at temperature range of 10-50°C. The dielectric constant was derived from the refractive index using the Maxwell and Debye equations. These two parameters (dielectric constant and refractive index) were used to estimate the aforementioned microscopic parameters (dipole moment, polarizability and molar polarizability). The results show different variations of the dipole moments of the solutes as the solvent polarity increases from n-hexane to ethanol. However, constant decrease of the dipole moment of all the molecules was observed in acetic acid. This trend was also observed in the computational studies of the dipole moment of the aforementioned monocyclic and bicyclic aromatic compounds using Hartreefock (HF) simulation with the basis set being 6-3IG*