Abstract
The transferred hyperfine interactions of octahedral transition metal complexes are discussed. The necessity of using a model which accounts for spin polarization is stressed. Results obtained by molecular orbital calculations using the multiple scattering method are presented for thirteen different octahedral clusters. The agreement with experiments is satisfactory except for the contact term where it is only moderately good. Even in the latter case, however, the calculations yield some valuable information, particularly concerning the core polarization contribution.
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Work supported by Statens Naturvetenskapliga Forskningsråd (the Swedish Natural Science Research Council).
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Larsson, S. Transferred hyperfine structure interactions in transition metal complexes. Theoret. Chim. Acta 39, 173–183 (1975). https://doi.org/10.1007/BF00550319
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DOI: https://doi.org/10.1007/BF00550319