On the basis of the perturbation formulas and 10x10 complete energy matrices for a d1 configuration ion in a tetragonal crystal field, for V4+ ions doped in cobalt maleate tetrahydrate (CoMTH) single crystals, the optical spectra and electron paramagnetic resonance (EPR) parameters (g factors g//, g perpendicular to and hyperfine structure constants A//, A perpendicular to) of the octahedral (VO6)8- clusters have been studied by two theoretical models. By simulating the calculated optical spectra and the EPR parameters to the observed values, the magnitude of orbital reduction factor k, core polarization constant and crystal field parameters [image omitted] are determined. The calculated results are in reasonable agreement with the experimental values.
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