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Analysis of the EPR spectrum of NH4Br:Cu2+ single crystals has indicated that the unpaired electron is in d3z2−r2 orbital. Both isotropic and anisotropic parts of the hyperfine interaction with the ligand nucleus have been obtained by simulating the EPR spectrum. It is observed that covalency has a very significant effect on the core polarization. The calculations have indicated that 3% of 4s character is necessary to obtain a good value for the contact term.
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Narayana et al. (1972) studied this question.
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