41.
The infrared spectra of 1,1,2-trichloroethane were recorded from 4000 to 50 cm
?1 in the vapour and liquid states. Additional spectra above 200 cm
?1 of the low temperature crystal and of two crystalline solids, prepared by compressing the sample in a diamond anvil cell, were obtained. Also, infrared spectra of the liquid and of the compound dissolved in CS
2 were recorded at increased pressures. Raman spectral data of the liquid (including polarization measurements) and of the low temperature crystal were obtained.The fundamental frequencies for each of the two conformers, C
1 and C
s, were assigned and the results checked by normal coordinate analysis. The same diagonal and off-diagonal force constants were employed for the two conformers and the force fields were derived by means of a least squares refinement, including data for chloroethane, 1,1-dichloroethane and various deuterated species. A standard deviation of 3 % was obtained in the final fit.From the changes in relative intensities for infrared bands belonging to the C
1 and C
s conformers with increasing pressure, the volume differences (ΔV¯between the conformers were determined in CS
2 solution and in the pure liquid.
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