Supramolecular Interactions of Bambus[6]urils with Quinoline and 6‐Hydroxyisoquinoline Hydrochloride Salts

The host‐guest interactions of bambus[6]uril and dodeca(4‐carboxybenzyl)bambus[6]uril with quinoline and 6‐hydroxyisoquinoline hydrochloride salts have been investigated by means of 1 H NMR, fluorescence emission spectroscopy and molecular simulation. The 1 H NMR spectra confirmed the host‐guest interactions through changes in the proton signals of the guests in the presence of the host. The changes of fluorescence emissions of guests upon addition of increasing amounts of bambus[6]uril suggested the formation of host‐guest complexes in a ratio of 1:1. Additionally, calculations with a semi‐empirical PM6‐D3H4 method provided insight into structures of the supramolecular complexes.