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Herman‐wallis factors for Raman transitions of 1 ∑‐state diatomic molecules
Author(s) -
Tipping R. H.,
Ogilvie J. F.
Publication year - 1984
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.1250150109
Subject(s) - diatomic molecule , raman spectroscopy , polarizability , overtone , anisotropy , operator (biology) , quantum number , atomic physics , chemistry , physics , quantum mechanics , molecule , molecular physics , spectral line , biochemistry , repressor , transcription factor , gene
Abstract Accurate theoretical expressions for Herman‐Wallis factors for the pure rotational, fundamental and first two overtone vibration‐rotational bands have been derived. These are expressed for arbitrary rotational quantum numbers in terms of the Dunham potential parameters and the coefficients of a general operator represented by a power series expansion. The inclusion of higher order corrections in a consistent way reduces the discrepancy reported by previous workers for H 2 between results obatined numerically and analytically. The present expressions are of sufficient accuracy to enable one to obtain precise experimental values for the anisotropy of the polarizability and its derivatives from an analysis of Raman line intensities.