Abstract
A multiple regression model was generated, which can satisfactorily estimate the association constants (K-a) for the inclusion complexation of beta-cyclodextrin with mono- and 1,4-disubstituted benzenes. It was found that lnK(a) was correlated with the substituent molar refraction (R-m), hydrophobic constant (pi) and Hammett constant sigma) of the guest compounds with a correlation coefficient of 0.95. The main driving forces for beta-cyclodextrin complexation was concluded to consist of van der Waals forces and hydrophobic interactions, while the influence of electronic effects was small.
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