An analysis of the EPR spectral parameters and the electronic state of the low-symmetry complexes of 67Zn+, 111Cd+, and 205Tl2+ns1 ions in crystals with the potassium sulfate structure

The electronic structures of the low-symmetry complexes of 4s ¹-⁶⁷Zn⁺, 5s ¹-¹¹¹Cd⁺, and 6s ¹-²⁰⁵Tl²⁺ ions in isostructural crystals of potassium sulfate, rubidium sulfate, and potassium selenate were studied by the EPR data. The sp-mixing of the atomic orbitals of the paramagnetic ion in the molecular orbital of the ground state was established. The parameters of the EPR spectra were analyzed. The sp-mixing was shown to result in negative shifts of the Zeeman interaction parameters. The signs of components of the hyperfine coupling tensor (A tensor) were considered. The determining role of the contribution from the isotropic hyperfine coupling to the components of the A tensor was found. The anomalously low observed values of the hyperfine coupling parameters of the thallium complexes were interpreted.