Abstract:The EPR parameters g factors g , g ⊥ and the hyperfine structure constants A and A ⊥ for the square planar Cu 2+ centers in K 2 PdX 4 (X = Cl, Br) are theoretically investigated from the perturbation formulas of these parameters for a 3d 9 ion under tetragonally elongated octahedra. In these formulas, not only the contributions from the conventional crystal-field (CF) mechanism, but also those from the charge-transfer (CT) mechanism are taken into account. The related molecular orbital coefficients are uniform… Show more
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