Accession Number : AD0814805

Title :   FAR INFRARED SPECTRA OF HALOGENATED PHENOLS. THE CALCULATION OF THE BARRIER HEIGHT OF THE HYDROXY GROUP FROM THE OBSERVED TORSIONAL VIBRATIONS.

Descriptive Note : Summary technical rept. Oct 65-Dec 66,

Corporate Author : CARNEGIE-MELLON UNIV PITTSBURGH PA MELLON INST OF SCIENCE

Personal Author(s) : Fateley, William G. ; Miller, Foil A. ; Witkowski, Robert E.

Report Date : JAN 1967

Pagination or Media Count : 290

Abstract : 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 V4/V2 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)

Descriptors :   (*PHENOLS, INFRARED SPECTRA), (*HALOGENATED HYDROCARBONS, PHENOLS), DIFFERENTIAL EQUATIONS, TABLES(DATA), VIBRATION, MOLECULAR ROTATION, MOLECULAR ISOMERISM, SUBSTITUTION REACTIONS, HYDROXIDES, FLUORINE COMPOUNDS, CHLORINE COMPOUNDS, BROMINE COMPOUNDS.

Subject Categories : Organic Chemistry

Distribution Statement : APPROVED FOR PUBLIC RELEASE