Exchange interaction in polynuclear complexes. Part 2.—Antiferromagnetic coupling in binuclear oxo-bridged iron(III) complexes
- 1 January 1976
- journal article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
- Vol. 72, 1441-1446
- https://doi.org/10.1039/f29767201441
Abstract
A previously described model for exchange interaction is applied to the study of antiferromagnetic coupling in binuclear oxo-bridged iron (III) complexes. The energies of the magnetic orbitals (singly occupied d orbitals of each transition ion, partially delocalized towards the ligands surrounding this ion), and of the m.o.s. built from these magnetic orbitals are calculated, using the Angular Overlap Model. The wavefunctions associated with the low lying terms are expressed in the form of H.L. functions and the relative energies of these terms are calculated from a one electron matrix, which couples the magnetic orbitals in such a way that its eigenfunctions an eigenvalues are the m.o.s. and their energies. An interpretation of the relative magnitudes of antiferromagnetic coupling in FeIII—O—FeIII and CrIII—O—CrIII dimers is proposed.Keywords
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