A Raman study of empty

The room temperature Raman spectra of the C84 isomers 22: D2 and 23: D2d are shown to resemble a downshifted and split C60 spectrum in the range of the radial cage modes below 450 cm−1. Additional Raman lines with a basically similar structure were found for three isomers of Sc2@C84 (Cs, C2v and D2d) below 200 and at 260 cm−1 and attributed to (Sc−C84)-vibrations. These modes are further specified with respect to their normal coordinates. Factor group splitting in the solid state of the Sc2@C84 D2d isomer explains for the larger number of (Sc−C84)-vibrations as found for the other isomers.