VIBRATIONAL SPECTRA OF TRIFLUOROACETYL CHLORIDE AND RELATED MOLECULES

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1964

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Ohio State University

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The Raman spectrum of liquid CF3COCl and the infrared spectra of the gas and the condensed solid have been studied, and fundamental frequencies assigned. For assumed Ca symmetry, the a' fundamentals occur at 1811, 1284, 1240, 937, 750, 703, 583, 511, 334, and 198cm−1, and a'' fundamentals at 1202, 517, 390 and 234cm−1. The torsional vibration was not observed, although observations were made down to 30cm−1. Unless the band is so weak as to have escaped detection, this means that the barrier in this molecule is ≤300cm−1. Of particular interest is the splitting of the CF3 vibrations due to the plane of the molecule. The three C-F stretches were clearly resolved, the most symmetric being the highest in frequency and the stretch antisymmetric to the plane, the lowest. The two asymmetric CF3 deformations (degenerate in C3v molecules) are almost 200cm−1 apart. The spectra of related molecules, such as (CF3)2C=O,CF3CHO, and CF3CONH2, will also be discussed.

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Author Institution: Mellon Institute

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