ANALYSIS OF THE INDUCED ROTATIONAL STRENGTH OF MONOSUBSTITUTED AND DISUBSTITUTED BENZENES INCLUDED IN BETA-CYCLODEXTRIN

In order to accumulate geometrical informations about substituted benzenes included in beta-cyclodextrin, the circular dichroism induced by the pi --> pi* transitions of the included guests was analyzed by using the Kirkwood-Tinoco formula for the induced rotational strength based on the chiral exciton interaction theory. The main part of the analysis procedure was simplified by avoiding parametrization of the anisotropic bond polarizabilities which would cause some indefinite effects to the result of the analysis. Several important properties of the inclusion geometries clarified from the rotational strength analysis were considered in terms of the effects of substituent groups upon the inclusion interaction forces. Characteristic contributions to the inclusion complex formation were confirmed for the hydroxyl, carboxyl, nitro, and amino groups of substituted benzenes.