Cucurbituril-based supramolecular host–guest complexes: single-crystal structures and dual-state fluorescence enhancement

Abstract

Two supramolecular complexes were prepared using cucurbiturils [CBs] as mediators and a four-armed p-xylene derivative (M1) as a guest molecule. The single crystals of these two complexes were obtained and successfully analyzed by single-crystal X-ray diffraction (SCXRD). An unexpected and intriguing 1 : 2 self-assembly arrangement between M1 and CB[8] was notably uncovered, marking its first observation. These host–guest complexes exhibit distinctive photophysical properties, especially emission behaviors. Invaluable insights can be derived from these single-crystal structures. The precious single-crystal structures provide both precise structural information regarding the supramolecular complexes and a deeper understanding of the intricate mechanisms governing their photophysical properties.