NMR determination of concentration-switchable inclusion complex of a β-cyclodextrin derivative carrying a benzene group linked to a C,C -glucopyranoside spacer

This article describes the structure of the inclusion complex that a β-cyclodextrin derivative 1 , which includes a benzene ring tethered to a cyclodextrin moiety via a C,C -glucopyranoside spacer, forms when its concentration is 9 mM. As we have recently reported, 1 forms an intramolecular inclusion complex at a concentration of 2 mM. By contrast, detailed NMR structural analysis revealed that at a 9 mM concentration, 1 formed a symmetrical pseudo-dimer based on intermolecular inclusion complexiation between two molecules of 1 . Thus, the inclusion structures of 1 varied depending on concentration, which indicates that the structure of this β-cyclodextrin derivative could be “concentration-switchable.” Graphical Abstract