File(s) not publicly available
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 contributionposted on 2023-05-16, 10:18 authored by Glaum, R, Hitchman, MA
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 Ïƒ-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 Ï€-bonding interactions between titanium and the oxygen ligands linking Ti-O coordination polyhedra.
Publication titleAustralian Journal of Chemistry
Department/SchoolSchool of Natural Sciences
PublisherC S I R O Publishing
Place of publicationAustralia