Structure of a 4:1:4 supramolecular assembly of neutral TiiiiPO cavitands and tetrakis(N-methylpyridinium)porphyrin iodide

Four tetraphosphorylated TiiiiPO cavitands 1 encapsulate the pyridinium heads of a tetrakis(N-methylpyridinium)porphyrin iodide to form a 4:1:4 (host)(4)/guest(4+)/4I(-) complex. The single-crystal X-ray diffraction analysis shows the arrangement of the four cavities bound to the CH3N+ groups of the porphyrin moiety and the four iodide anions nested between the phenethyl substituents of the hosts. H-1 NMR investigations show that the structure is preserved in chloroform solution and underscore the effect of the counteranions.