Infrared and Raman Spectra of α,α,α-Trichlorotoluene, C6H5CCl3

The Raman spectrum between 3500 and 100 cm⁻¹, including polarization measurements, and the infrared spectrum between 4000 and 265 cm⁻¹ of liquid α,α,α‐trichlorotoluene, C₆H₅CCl₃, have been recorded. Wavenumber assignments of the phenyl vibrations have been made on the basis of C_2v symmetry, although the molecule is undoubtably of lower symmetry. The 24‐substituent‐insensitive ring modes were assigned without much difficulty. The nine substituent modes and the six substituent‐sensitive ring modes were assigned with less certainty, but the Raman polarization data helped in the assignment of some of these. The phenyl‐substituent torsional mode was assigned to the strong, broad Raman line observed at 118 cm⁻¹. The six phenyl vibrations whose wavenumbers are sensitive to the nature of the substituent were assigned, in our previous notation [C. V. Stephenson, W. C. Coburn, Jr., and W. S. Wilcox, Spectrochim. Acta 17, 933 (1961)], as follows: ${\nu }_{20}^{\prime }\mathrm{(\delta }\mathrm{CC}{\mathrm{)b}}_2\text{,\hspace{0.17em}176\hspace{0.17em}}{\mathrm{cm}}^{\text{−1}}{\mathrm{;\nu }}_{14}^{\prime }\mathrm{(\beta }\mathrm{CX}{\mathrm{)b}}_1\text{,\hspace{0.17em}246\hspace{0.17em}}{\mathrm{cm}}^{\text{−1}}{\mathrm{;\nu }}_{18}^{\prime }\mathrm{(\alpha }\mathrm{CCC}{\mathrm{)a}}_1\text{,\hspace{0.17em}308\hspace{0.17em}}{\mathrm{cm}}^{\text{−1}}{\mathrm{;\nu }}_{19}^{\prime }\mathrm{(\gamma }\mathrm{CX}{\mathrm{)b}}_2\text{,\hspace{0.17em}507\hspace{0.17em}}{\mathrm{cm}}^{\text{−1}}{\mathrm{;\nu }}_2\mathrm{(\nu }\mathrm{CX}{\mathrm{)a}}_1\text{\hspace{0.17em}629\hspace{0.17em}}{\mathrm{cm}}^{\text{−1}};\mathrm{and}{\mathrm{\hspace{0.17em}\nu }}_2\mathrm{(\nu }\mathrm{CX}{\mathrm{)a}}_1\text{;\hspace{0.17em}1185\hspace{0.17em}}{\mathrm{cm}}^{\text{−1}}$ .