Theory of the paramagnetic susceptibilities and anisotropies of copper(II) ions in ‘tetrahedral’ environments
- 1 January 1968
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in J. Chem. Soc. A
- p. 2023-2028
- https://doi.org/10.1039/j19680002023
Abstract
Paramagnetic susceptibilities have been calculated of ions with formal 2D ground terms perturbed by cubic and axial crystal-fields and spin–orbit coupling. They are critically compared with those computed from a basis set of orbitals restricted to the cubic field 2T2 ground state. Anisotropies are found to be particularly sensitive to the neglect of the higher lying 2E component of the 2D term and show the inadequacy of powder susceptibility measurements of tetrahedral copper complexes.Keywords
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