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Conformational and dielectric analysis of hydrogen bonded polar binary mixtures of methyl benzoate with N-methylaniline
Date Issued
20-09-2001
Author(s)
Chitra, M.
Subramanyam, B.
Murthy, V. R.K.
Abstract
The dielectric properties of the hydrogen bonded binary system of non-associated polar liquid methyl benzoate (ester) and associated polar liquid N-methylaniline (secondary amine) were studied on both pure and equimolar binary mixtures of methyl benzoate and N-methylaniline in dilute solutions of benzene. AM1 semi-empirical calculations were performed on various conformers of the hydrogen bonded complex. The minimum enery conformer was selected and self-consistent reaction field calculations were performed on the resultant geometry to include solvent effects. The experimental value of dipole moment is compared with the calculated value for the conformers.
Volume
99