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On the bonding behaviour of transition metal ions in inorganic solids - Optical and EPR spectroscopic studies on anhydrous phosphates and phosphate-silicates of Ti3+
journal contribution
posted on 2023-05-16, 10:18 authored by Glaum, R, Hitchman, MATiPO4 (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.
History
Publication title
Australian Journal of ChemistryVolume
49Issue
11Pagination
1221-1228ISSN
0004-9425Department/School
School of Natural SciencesPublisher
C S I R O PublishingPlace of publication
AustraliaRepository Status
- Restricted