Normal Coordinate Analysis of the Nonplanar Vibrations of 1,3,5-Trifluorobenzene

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Abstract
A normal coordinate analysis has been carried out of the nonplanar vibrations of 1,3,5‐trifluorobenzene based on the frequency assignments of Nielsen, Liang, and Smith and utilizing results from Miller and Crawford's normal coordinate treatment of the nonplanar vibrations of benzene. The analysis has furnished strong support for Nielsen, Liang, and Smith's tentative assignment of the lowest A2″ fundamental and has led to the conclusion that their value for the highest E″ fundamental is too high. The spectral data have been re‐examined, and a reasonable new assignment has been given for this E″ fundamental. A plausible reinterpretation consistent with the change in assignment of the E″ fundamental has been given of several of the combination and overtone bands.

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