The irreducible Raman scattering tensor operator for the 32 crystallographic point groups and its application to the resonance and electronic Raman effect

• Published in: Journal of molecular spectroscopy 1976-01, Vol.63 (1), p.1-22
• Main Author: Gächter, Bernhard F.
• Format: Article
• Language: English
• ISSN: 0022-2852; 1096-083X
• DOI: 10.1016/0022-2852(67)90130-0

The irreducible components of the Raman scattering tensor operator α ̂ γ Γ ( Γ ks Γ k′s′) under the symmetry of a general point group are calculated. The unitary transformations U(Γ γ Γ ks Γ k′ s′ , ρσ) from the Cartesian α ̂ ρσ and spherical α ̂ Q K components, respectively, to the irreducible components α ̂ γ Γ ( Γ ks Γ k′s′) for the 32 crystallographic point groups are collected in tables. As an example the unitary transformation U(Γ γ Γ ks Γ k′ s′ , 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 5 T 2 state of the high-spin trigonal distorted octahedral Fe 2+ are calculated and the refinement of the selection rules is discussed.