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Research was conducted to examine skeletal T-O-T variations as a tool for characterization of divalent cation complexation in ferrierite. The effect of several divalent cations such as Mn2+, Mg2+, Ni2+ and Co2+ exchanged in Na-ferrierite and ammonia adsorption/desorption was investigated using FTIR spectroscopy in the range 4000-400/cm. Results demonstrate that FTIR spectroscopy has a potential for highly sensitive identification of equilibrium states between the metal ion-ligand complexes in zeolites and bare metal ions.

Simplified cluster models representing cation bindings sites in a zeolite of ferrierite structure is optimized with a series of divalent and monovalent metal cations. It is observed that the coordination of metal cations significantly perturbs the char ge distribution over the cation binding sites.