[摘要]：of tert-butylbenzene complexed in b-cyclodextrin and its ionic 6-mono and 6-hepta derivs. were systematically investigated by isothermal titrn. calorimetry (ITC). All inclusion compds. showed 1:1 stoichiometry with binding consts. ranging from 10 to 3 x 106 M-1. The binding free energies could be subdivided into apolar and electrostatic contributions. The electrostatic interactions could be quant. described by Coulomb's law by taking into account the degree of protonation of hosts and guests, the orientations of the guests within the hosts, and ion shielding as described by the Debye-Hueckel-Onsager theory. The orientations of the guests within the cyclodextrin cavities were detd. by ROESY NMR spectroscopy.
