The spectra and structure of sulphur-containing organic compounds-IV. The vibrational spectra and conformations of haloidmethylmethylsulphones CH3SO2CH2X

Abstract

The i.r. and Raman spectra of the haloidmethylmethylsulphones CH3SO2CH2Cl (I) and CH3SO2CH2Br (II) in their liquid, solution and crystalline states have been recorded. The presence of a mixture of trans and gauche conformations has been established. The temperature dependence of the i.r. spectra has been investigated and the value ΔH = H(gauche) - H(trans) found. The band dichroism of the polarized i.r. spectra of crystalline I and II has been considered. The frequencies of the torsion vibrations have been found and the value of the internal rotation barrier measured. The interpretation of vibrational spectra is given and a normal coordinate analysis has been carried out. © 1987.