Abstract
The Steven’s method of molecular orbitals for octahedral complexes containing transition metal ions has been used for estimating the binding parameters and interpreting theg factors of VO +2 ion in single crystals. The expressions forg factors have been given in terms ofK ‖ andK ⊥ taking into account the tetragonal crystalline field and covalent binding effects. Computations show thatK ⊥ should be less than 0.066 in order to fit the experimentalg values. The ground state wave function (GSWF) of VO +2 ion doped in different single crystals has been estimated using crystal field theory. The GSWF is found to be ind xy state with slight admixture of the excited states\(d_{x^2 - y^2 } \),d xz andd yz. The hyperfine interaction parameterP and Fermi contact termX have also been estimated.
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Misra, B.N., Narayan, A. & Kripal, R. Covalent binding parameters and the ground state wavefunctions of vanadyl ion complexes. Pramana - J Phys 39, 343–350 (1992). https://doi.org/10.1007/BF02845817
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DOI: https://doi.org/10.1007/BF02845817