FAR INFRARED SPECTRA OF HALOGENATED PHENOLS. THE CALCULATION OF THE BARRIER HEIGHT OF THE HYDROXY GROUP FROM THE OBSERVED TORSIONAL VIBRATIONS.
Summary technical rept. Oct 65-Dec 66,
CARNEGIE-MELLON UNIV PITTSBURGH PA MELLON INST OF SCIENCE
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The far infrared spectra of ortho, meta and para fluoro-, chloro- and bromo-phenol have been observed. In several of these phenol molecules, for the first time the hot bands, i.e., higher transition 1 approaches limit of 2, 2 approaches limit of 3, could be resolved and both the V2 and V4 terms of the potential energy expression could be evaluated. The ratio of V4V2 ranged from 0.026 to -0.017. Also, rotamers were observed in several of the meta halophenols. A set of Mathieu tables of very large s values used in the calculation of barrier height is given. Author
- Organic Chemistry