THE ALTERNATE KEGGIN ION - A THEORETICAL-STUDY OF THE STABILITY FACTORS FOR THE BETA-KEGGIN ION IN COMPARISON WITH THE CORRESPONDING ALPHA-KEGGIN ION

The syntheses and chemical properties of geometrical isomers of 12 tun gstopolyoxyanions have been studied for several decades. These materia ls are utilized in multiple commercial catalytic processes and many ex perimental and theoretical initiatives have been directed at understan ding and enhancing their stability. In our previous work, we have disc overed that competing bonding interactions help to establish limits in stability. These effects include substitution of the metal ion in the oxide shell and coordination effects with the central tetrahedral oxy anion. Here, we focus on the central oxyanion effect and the electroni c stability of the beta-Keggin ion in comparison with its alpha-isomer . It is obvious that the beta-Keggin ion is less thermally stable than its alpha-isomer. Electronic indicators help to establish the stabili ty limits and characterize spectral and physical properties.