The role of lower symmetry component of the crystal field in causing a mixing of excited 3dx−1 4s with the ground 3dx configuration and leading to spin density at the nucleus for iron group ions was suggested by Griffith and Orgel. This mechanism has been examined in detail for the two low-symmetry copper complexes, one square planar (D4h symmetry) and the other distorted tetrahedron (D2d symmetry) and the calculation has been performed using the powerful Racah method and tensor operator technique. It is found that for the two types of copper complexes, copper pthalocyanin (square planar, D4h symmetry) and cesium copper chloride (distorted tetrahedron, D2d symmetry) the contribution from this mechanism to the spin density at the nucleus vanishes identically.
Volume 95, 2021
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