Computation of the Two‐Centre Molecular Integrals Involved in the Exchange Interaction Between Ligand and Metal Electrons for the [VF6]4− Cluster in KMgF3
- 1 May 1976
- journal article
- research article
- Published by Wiley in Physica Status Solidi (b)
- Vol. 75 (1) , 255-259
- https://doi.org/10.1002/pssb.2220750127
Abstract
In order to make an advance in the analysis of recent Spectroscopie studies on the [VF6]4− cluster the matrix elements are computed involved in the exchange interaction between the electrons of the metal and the electrons of the ligand, when a molecular orbital model is used. In comparison with [NiF6]4− and apart differences arising from different electronic configuration, the widely spread atomic orbitals of V2+ result in a noticeably larger interaction.Keywords
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