Australian Journal of Chemistry Australian Journal of Chemistry Society
An international journal for chemical science

On the Bonding Behaviour of Transition Metal Ions in Inorganic Solids—Optical and Epr Spectroscopic Studies on Anhydrous Phosphates and Phosphate-Silicates of Ti3+

R Glaum and MA Hitchman

Australian Journal of Chemistry 49(11) 1221 - 1228
Published: 1996


TiPO4 (green), Ti4P6Si2O25 (purple-red) and TiP3O9 (blue) show a remarkable variety of colours . We compare the results of optical and e.p.r. spectroscopic measurements on these compounds with d-electron energy levels for Ti3+ obtained by using the angular-overlap model. Thus, a unified set of angular-overlap model bonding parameters for the description of the spectroscopic behaviour of Ti3+ in anhydrous phosphates can be derived. The σ-interaction was assumed to depend on the nth power of the Ti-O bond distance, and it was found that optimum agreement with experiment occurred with n = -4.5. For the correct reproduction of the experimentally observed ground-state splittings it is necessary to allow for anisotropic π-bonding interactions between titanium and the oxygen ligands linking Ti-O coordination polyhedra.

© CSIRO 1996

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