Abstract
The nonlinear dielectric effect (NDE) has been applied to study the molecular association in tetrahydrofuran (THF) solutions in benzene and in cyclohexane. On the basis of the experimental values of the NDE parameter, electric permittivity, and density, determined as a function of temperature and concentration, and applying the general, statistical theory of NDE, the association constants and dipole moments of the associates were determined. The molecular orbital PM3 method has been applied to calculate the dipole moments and energy of molecular clusters. The results of NDE and PM3 studies are fairly consistent and reveal that a weak dipolar association takes place in the cyclohexane solutions. In the benzene solutions the association, if any, is much weaker probably due to competitive interactions between the solute and the solvent.
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