SPECTRA AND STRUCTURE OF CRYSTALLINE CYCLOPROPANE AND CYCLOPROPANE-D6

Infrared and Raman spectra of polycrystalline C2H6 and C3D6 were measured between 10 and 3500 cm-1 at 85°K. Infrared spectra of mixed C3H6 and C 3B6 crystals were also obtained. From these measurements, an assignment of the origin of the multiplet splittings is proposed. An x-ray diffraction study of crystalline C3H6 suggests an orthorhombic unit cell with a=10.0 Å, b=6.8 Å, and c=5.1 Å. Density measurements, spectroscopic data, and diffraction data indicate that the site group is C3, and that the space group is one of eight primitive D2h groups. Far-infrared spectra of crystalline C3H 6 showed five absorptions attributed to k=0 external modes.