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Raman Studies of Molecular Crystals at High Pressures. IV. Acetonitrile,CH 3 CN andCD 3 CN
Author(s) -
Yenice K. M.,
Lee S. A.,
Anderson A.
Publication year - 1996
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/(sici)1097-4555(199611)27:11<835::aid-jrs26>3.0.co;2-n
Subject(s) - raman spectroscopy , intermolecular force , acetonitrile , deuterium , chemistry , phase transition , analytical chemistry (journal) , crystallography , molecule , thermodynamics , organic chemistry , optics , physics , quantum mechanics
Raman spectra of acetonitrile, CH 3 CN, and its fully deuterated analogue, CD 3 CN, were recorded at room temperature and at pressures up to 8 GPa. Freezing pressures were determined to be 0.31 and 0.34 GPa and a solid‐state phase transition was confirmed at 0.57 and 0.49 GPa, respectively. Evidence for a second transition for both crystals near 5.4 GPa is presented, with changes in the spectra for CD 3 CN being more pronounced. All modes show increases in wavenumber with increase in pressure. Lattice modes were characterized on the basis of isotopic ratios, and their pressure dependence indicates that intermolecular bonds are strengthened by a factor of about 3.6 over this pressure range.