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The irreducible Raman scattering tensor operator for the 32 crystallographic point groups and its application to the resonance and electronic Raman effect
Authors:Bernhard F Gächter
Institution:Department of Chemistry, Carleton University, Ottawa, Canada
Abstract:The irreducible components of the Raman scattering tensor operator α?γΓ(ΓksΓk′s′) under the symmetry of a general point group are calculated. The unitary transformations UγΓksΓks, ρσ) from the Cartesian α?ρσ and spherical α?QK components, respectively, to the irreducible components α?γΓ(ΓksΓk′s′) for the 32 crystallographic point groups are collected in tables. As an example the unitary transformation UγΓksΓks, ρσ) is used to discuss the behavior of the scattering tensor in a resonance Raman experiment. With the help of the general formalism the scattering tensor for electronic Raman transitions of transition metal ions is calculated. As an example the scattering tensors of electronic Raman transitions within the 5T2 state of the high-spin trigonal distorted octahedral Fe2+ are calculated and the refinement of the selection rules is discussed.
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