Raman spectra (liquid phase) with depolarization measurements and infrared spectra (vapor, solution, liquid and solid phases) in the 300~3800 cm-I region are reported for phenol and phenol-OD. A complete vibrational assignment for phenol is presented and a value of 3β’37 kcaljmole has been determined for the barrier to internal rotation about the C-O bond. Thermodynamic functions for phenol as an ideal vapor at 1 atm pressure have been calculated.
Experimental
Fractionally distilled phenol (Dow) was used. Phenol-OD was prepared by successive exchanges with DzO.
Infrared spectra of both molecules in the vapor, liquid and solid phases and in solution in C01 4 , CS z and n-hexane were recorded. In the 3800-450 em>' region an automatic-recording, double-beam, prism-grating instrument designed and constructed in this laboratory was used [5], while between 450-300 cm-I a Perkin-Elmer double-pass OsBr-prism instrument was used. Vapor spectra were obtained with heated cells, 10 em long with the first instrument and 5 em long with the second.
Raman spectra of the liquids were recorded with a Hilger photoelectric instrument (7Ajmm) using 4358 A excitation. The samples were maintained at about 50Β°C. Depolarization measurements were made [6] and the observed values were corrected [7].