SPECTRA OF SYNTHETIC ZEOLITES CONTAINING TRANSITION METAL IONS .3. A SIMPLE MODEL CALCULATION OF SYSTEM ADSORBED MOLECULE-NIA ZEOLITE

Adsorption on NiA zeolitic sites where the Ni2+ ions are surrounded by the neighboring ligands of the D3h, symmetry is treated as a transition to C3v symmetry whereby the adsorbed molecule represents a perturbation whose ligand field strength is expressed as a function of variable parameters. The main feature of the corresponding spectral changes, namely a bathochromic shift of the main band in the visible region, leading to a change of color from yellow to pink during adsorption, and a band separation in the low energy region, are qualitatively explained by this model. © 1969.