SELF-ASSEMBLY OF POLYOXOMETALATE CONJUGATES - NOVEL MODELS FOR CATALYTIC SURFACES FROM CRYSTAL DATA

Self-assembly of new organic conjugates of the pentamolybdodiphosphona to cage with cyclic aminomethylphosphonates has been achieved. The cry stal structures of two of the conjugates have been determined and all of them characterised by IR spectroscopy. Intramolecular hydrogen bond ing of the aminomethyl moiety to cage oxygen and close intermolecular C-H ... O-Mo contacts (between 2.3 and 2.5 angstrom for the H ... O di stance) are observed, providing a new model for the interaction of sub strates with a polyoxometalate catalytic surface. A scheme for modelli ng the pentamolybdodiphosphonato cage with a distance-restraint-based model is presented.