Supramolecular host–guest complexation of Lash's calix[4]azulene with tetraalkylammonium halides and tetrafluoroborate salts: binding and DFT computational studies

Abstract

Calix[4]azulene 1 is shown to be an effective molecular receptor for tetraalkylammonium halide and BF₄⁻ salts. The respective binding constants were determined using global-fit analyses of the spectral data from UV-vis absorption titration studies. A DFT study of the putative complexes formed with 1, and the X-ray structure of 1 itself is also reported.