The ionic recognition properties of neutral oxothiomolybdenum wheels can be tuned from anionic to cationic through ionization of the internal aquo ligands. Evidence of the formation of a new exclusive cesium−cryptate supramolecular complex is made both in the solid state and in solution by various studies. It is supported by DFT calculations, which highlight the role of the Cs+ cations and of the inner H2O molecule on the geometry of the octamolybdenum dianionic wheel [Mo8O8S8(OH)10(H2O)]2-.
The ionic recognition properties of neutral oxothiomolybdenumwheels can be changed from anionic to cationic through ionizationof the internal aquo ligands. In the solid state, [Mo8O8S8(OH)10(H2O)]2-(1) interacts with two Cs+ cations to give a close supramolecularhost−guest arrangement. Such interactions appear to be maintainedin solution as a labile association.
