| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1402174 | Journal of Molecular Structure | 2015 | 8 Pages |
•The method for determination of vapor-phase molar Kerr constants (mK) is proposed.•The mK values of 19 organic compounds are calculated.•Selection of optimal models of the internal fields for the mK values is made.
A method is proposed for determination of molar Kerr constants (mK) by extrapolation of the values measured in a series of selected solvents. The mK values of 19 organic compounds were calculated. Most of the compounds cannot be studied in the vapor phase. The discrete–continuum solvation model was applied to investigate the influence of solvent nature on solubility of the compounds under investigation. It is shown that universal interactions between the solvent and solute molecules, including the dispersive, inductive, and dipole–dipole interactions, dominate the solvation process. The optimum model of internal field was chosen to determine the Kerr constant. The values of mKgas measured experimentally coincide with the values of mKφα=0′ that were obtained by extrapolation of mK′. Hence, this method can be applied to calculate the values of molar Kerr constants on the basis of measurements in solutions.
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