The coupling symbols and algebrae of subducible, octahedrally projected ligand field eigenvectors

Autor: Bryan R. Hollebone, John C. Donini
Rok vydání: 1976
Předmět:
Zdroj: Theoretica Chimica Acta. 42:97-110
ISSN: 1432-2234
0040-5744
DOI: 10.1007/bf00547066
Popis: The 3Γ symbols required for the application of the Wigner-Eckart theorem to strong ligand field matrix elements are derived for complex basis functions quantized on the C4Z, C3XYZ, C2Zand C2XYaxes of an octahedron. This scheme provides a standardized analysis technique for the matrix elements of subgroups in each of the four physically significant chains of the double group Oh*. This standardization yields the minimum necessary number of ligand field parameters in any subgroup and makes possible the direct comparability of equivalent parameters in different symmetries. A unique numerical labelling for both representations and complex components on each axis provides both a simple component selection rule algebra and numerical phase factors governing permutation and conjugation of the 3Γ symbols.
Databáze: OpenAIRE
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