Interpretation of the magnetic anomalies in Cu(II):Ni(II) bis(diselenocarbamate) crystals

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Abstract
A possible interpretation of the relevant magnetic anomalies, recently observed in Cu(II):Ni(II) bis(diselenocarbamate) mixed crystals, is presented. The Cu–Se bond is considered responsible for the large ``circularization'' (to the value for the free electron) of g about a twofold axis in the molecular plane. Thus it is possible that a weak C2h distortion of the D2h symmetry in the complex [mixing of (xz) into the (3z2−r2) ground state, or (y z) into the (x y) ground state] may produce both the characteristic angle of approximately 45° between the low values of g and the molecular plane and the appearance of a principal value of g slightly lower than the free electron value. It is also clarified why A does not exhibit an analogous rotating effect. Relevant expressions of g and A tensors are deduced in terms of a simple LCAO‐MO formalism and implications on the covalent character of the magnetic bonds in the complex are finally discussed.