Polymorphism of crystalline tert-butyl chloride-d0 and tert-butyl chloride-d9: a Raman spectroscopic study

Raman spectra of the three solid phases of tert-butyl chloride-d0 and -d9 have been recorded for the regions of the intramolecular vibrations. The spectra of solid I are typical of those seen for plastic crystals and those of solid II of solids with partial orientational order. The transition from solid I to solid II results in the ordering of the three-fold molecular symmetry axes but the axes perpendicular to the molecular symmetry axes remain randomly oriented. The transition from solid II to III results in a more-or-less ordered structure. The spectra of phase III at 90 K suggest an ordered solid with the molecules on sites of symmetry Cs or C1.