Energies de transition de complexes du chrome et du manganese
- 23 August 1970
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 19 (2) , 209-225
- https://doi.org/10.1080/00268977000101191
Abstract
The results of a calculation of crystal field parameters are given for the pattern CrO6, using a point-charge model. A method for constructing molecular orbitals, more elaborate than that of Wolfsberg and Helmholz, is described. It is applied to CrO4 --, MnO4 -, CrF6, CrO6 for which transition energies are calculated. On expose d'abord des résultats de calcul de paramètres de champ cristallin pour le motif CrO6 par un modèle de charges ponctuelles. On décrit ensuite une méthode de construction d'orbitales moléculaires, plus élaborée que la méthode à CrO4 --, MnO4 -, CrF6, CrO6 pour lesquels on calcule des énergies de transition.Keywords
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