Acid and redox properties of co-substituted aluminium phosphates

Ab initio quantum chemical techniques are applied to the investigation of s tructural and bonding properties of microporous aluminophosphates and gallo phosphates. The calculations find a close measure of agreement with experim ental structural data. The bonding in the materials is shown to be of 'mole cular ionic' character, i.e. comprising Al3+ (Ga3+) and PO43- ions. Calcula ted redox energies are reported for Co-substituted materials. (C) 2001 Else vier Science B.V. All rights reserved.