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Gas phase Raman spectra of cyclopropane‐ h 6 and cyclopropane‐ d 6
Author(s) -
Daunt Stephen J.,
Shurvell H. F.
Publication year - 1974
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.1250020503
Subject(s) - cyclopropane , raman spectroscopy , degenerate energy levels , spectral line , phase (matter) , gas phase , molecular physics , chemistry , resolution (logic) , analytical chemistry (journal) , nuclear magnetic resonance , physics , optics , quantum mechanics , ring (chemistry) , organic chemistry , chromatography , artificial intelligence , computer science
The gas phase Raman spectra of normal and perdeutero‐cyclopropane have been recorded at medium resolution. The band contours of the E ′ and E ″ degenerate modes have been observed and computer simulation of them has allowed determination of the ζ i z values. This analysis was possible for ν9, ν11, ν12, ν13, and ν14 of C 3 H 6 and for ν9, ν10, ν11, ν12, ν13, and ν14 of C 3 D 6 . The gas phase spectrum of C 3 D 6 is reported for the first time and assigned. The agreement between our results and the IR data on the E ′ modes is good. Predicted parameters for the E ″ modes from force field calculations are also in good agreement with the data reported here.