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Comparison of transform and sum‐over‐states methods in the resonance Raman excitation profile of cryptoxanthin
Author(s) -
Hoskins L. C.,
Pham A. X.,
Rutt G. C.
Publication year - 1990
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.1250210904
Subject(s) - raman spectroscopy , acetone , toluene , resonance (particle physics) , excitation , carbon disulfide , chemistry , disulfide bond , carbon fibers , analytical chemistry (journal) , photochemistry , materials science , atomic physics , organic chemistry , optics , physics , quantum mechanics , biochemistry , composite material , composite number
The resonance Raman excitation profiles (RREPs) of the ν 1 , ν 2 and ν 3 vibrations of cryptoxanthin in acetone, toluene and carbon disulfide solvents have been determined. Cryptoxanthin, which is a pigment in maize, differs from β‐carotene by having a hydroxyl group on one of the end rings. The RREPs are interpreted in terms multimode sum‐over‐states and trates and transform methods. Both theoretical procedures show good agreement between theory and experiment, but the results in carbon disulfide show the greatest discrepancy. The theoretical parameters for cryptoxanthin are similar to those of β‐carotene, but the broadening effect in cryptoxanthin is about 20% smaller than in β‐carotene. The sum‐over‐states method gives better agreement between theory and experiment in acetone and toluene solvents, whereas the transform method is better in carbon disulfide.