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Raman intensities in single crystals of NaPF 6 ·H 2 O
Author(s) -
Heyns A. M.
Publication year - 1978
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.1250070306
Subject(s) - raman spectroscopy , molecule , chemistry , crystal (programming language) , analytical chemistry (journal) , single crystal , bending , molecular vibration , raman scattering , crystallography , molecular physics , materials science , physics , optics , organic chemistry , chromatography , computer science , composite material , programming language
The Raman spectra of single crystals of NaPF 6 ·H 2 O are reported. By transferring the Raman tensors for the O h point group to the NaPF 6 ·H 2 O crystal, the relative intensities of the PF 6 −modes are calculated and a good agreement is obtained between the calculated and observed values. The Raman tensors for the internal modes of the water molecules in NaPF 6 ·H 2 O are obtained and it is shown why the totally symmetric bending mode of these molecules is not observed in the Raman effect. The ratio of ∂α/∂ S 1 values for the PF 6 −and H 2 O groups in this study corresponds to the one calculated from a delta potential function.