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Raman ‐Spektrum, Normalkoordinatenanalyse und thermodynamische Eigenschaften von Trimethylenoxyd. II
Author(s) -
Zürcher R. F.,
Günthard Hs. H.
Publication year - 1957
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19570400111
Subject(s) - chemistry , raman spectroscopy , force constant , vibration , ring (chemistry) , planar , molecule , computational chemistry , work (physics) , molecular physics , analytical chemistry (journal) , thermodynamics , quantum mechanics , physics , organic chemistry , computer graphics (images) , computer science
New measurements of the depolarization ratios of the Raman lines of liquid trimethylene oxide and more accurate values of the rotational constants suggested a new assignment of the vibrational spectra of this molecule. A normal coordinate treatment has been carried out, showing good agreement with experimental data for the typical CH 2 ‐group vibrations. For the strongly coupled ring vibrations much less satisfactory results were obtained from conventional values of force constants. The newly exposed assignment differs in several respects from previous work. For the low frequency non planar ring vibration ν 24 two values of frequency were discussed, but no definitive choice has been achieved. The thermodynamic functions for the ideal gas have been recalculated.