Abstract
Previous attempts to describe the crystal field environment of the Ti 3+ ion in the mixed valence phases of the titanium-oxygen system described by Ti nO 2n−1 have been hindered by the lack of single-crystal EPR data. Using g-shift results from single crystals of Ti 3O 5 in conjunction with LCAO calculations, we have shown that assignment of a D 2h symmetry with rhombic field splitting parameters of E 2 − E′ 0 = 3100cm −1; E 1 − E′ 0 = 6300cm −1; and E 3 − E′ 0 = 26,000cm −1 is consistent with available optical, x-ray and EPR data. In addition EPR spin-concentration measurements have been correlated with available electrical conductivity measurements to identify the site of the paramagnetic center responsible for the observed EPR spectrum.
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