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Assignment of the Vibrations in the Near-Infrared Spectra of Phenol–OH(OD) Derivatives and Application to the Phenol–Pyrazine Complex

✍ Scribed by M. Rospenk; N. Leroux; Th. Zeegers-Huyskens

Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
150 KB
Volume
183
Category
Article
ISSN
0022-2852

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✦ Synopsis

The near-infrared spectra (7200-3800 cm 01 ) of seven phenols H,3, are investigated at room temperature in carbon tetrachloride. The mid-infrared spectra of some phenol-OD have also been studied. Beside the first overtone of the n(OH) stretching vibration, six absorptions disappear upon deuteration. The absorptions are assigned to combinations involving the n(OH) stretching mode and aromatic ring vibrations, the n(C-O) mode, or the d(OH) mode. The anharmonicity and coupling constants are discussed. The isotopic ratio of the n(OH) stretching fundamentals, of their first overtone, and the ratio of the anharmonicity constants are very insensitive to the nature of the phenol. The stability constants of complexes between phenols and base can be computed from several near-infrared absorptions and this is illustrated for the 3,5-dichlorophenol-pyrazine complex.

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