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Raman and far‐infrared study of the lattice vibrations of methyl cyanide
Author(s) -
Anderson A.,
Zeng W. Y.
Publication year - 1986
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.1250170604
Subject(s) - raman spectroscopy , chemistry , infrared , lattice (music) , cyanide , spectral line , crystallography , infrared spectroscopy , far infrared , molecule , melting point , space group , molecular vibration , molecular physics , analytical chemistry (journal) , diffraction , physics , x ray crystallography , inorganic chemistry , optics , organic chemistry , astronomy , acoustics
Low‐frequency Raman and far‐infrared spectra of both solid phases of CH 3 CN and CD 3 CN at temperatures between 20 K and the melting point have been recorded. Assignment of the observed peaks as librations about the principal molecular axes or as translational modes is facilitated by finding the frequency ratios of corresponding peaks for CH 3 CN and CD 3 CN. The spectra are compared with group theoretical predictions, based on possible space groups for each of the two phases. It is found that a unit cell with point group C 2 h and four molecules on general sites is favoured for phase I. The lattice spectra do not appear to be compatible with the larger unit cell proposed for phase II.