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Raman spectra of gases. XXVI —Trifluoroacetaldehyde
Author(s) -
Durig J. R.,
Guirgis G. A.,
Van Der Veken B. J.
Publication year - 1987
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.1250180804
Subject(s) - overtone , raman spectroscopy , chemistry , infrared , analytical chemistry (journal) , molecule , internal rotation , infrared spectroscopy , spectral line , chromatography , optics , organic chemistry , physics , mechanical engineering , astronomy , engineering
The Raman spectra from 3500 to 10 cm −1 of gaseous, liquid and solid trifluoroacetaldehyde (fluoral), CF 3 CHO, have been recorded and qualitative depolarization values were obtained for the fluid phases. Two of the bending fundamentals have been reassigned. The infrared gas‐phase band contours have been calculated and compared with the observed values. From the far‐infrared spectrum of the gas, the fundamental (66.2 cm −1 ) and overtone (128.6 cm −1 ) of the internal rotation have been identified. The barrier to internal rotation has been calculated to be 298±10 cm −1 (852±29cal mol −1 ). The spectrum of the solid is consistent with at least two molecules per primitive cell. These results are compared with earlier results and with similar parameters for some corresponding molecules.