The vibrational spectrum of methyltrioxorhenium(VII).

The inelastic neutron scattering and high-resolution FT-Raman spectra of methyltrioxorhenium are reported. Literature assignments of the modes below 1600 cm(-1) are largely confirmed with the exceptions of the methyl torsion and the ReO3 bending modes. The methyl torsion is observed for the first time at 200 cm(-1), while the band at 230 cm(-1) assigned previously to the torsion is shown to be a component of the factor group splitting of the solid. In the FT-Raman spectrum, the bands that derive from the E modes in the isolated molecule are split by the Cs site symmetry of the crystal. This allows an unambiguous assignment of these modes to be made. On this basis, the assignment of the ReO3 bending modes is reversed with the asymmetric mode at 325 cm(-1) and the symmetric mode at 276 cm(-1).