| Abstract
| - The structures of three structural isomers of Sc2@C84(I, II, III) have been determined by 13C NMR and haveCs, C2v, and D2d point group symmetry, respectively. By IR measurements, we have determined that thepeaks below 110 cm-1 originate from the scandium-cage vibrational modes based on temperature-dependentIR experiments. Line broadenings of the Sc-cage modes below 110 cm-1 are quite different from those of theC84 (empty) cage modes in far-IR spectra. Sc-cage vibrational modes below 300 cm-1 in Raman spectra arealso identified. The force constants of the Sc-cage vibrations based on a linear three-mass-oscillator modelindicate that the charge state of Sc atoms are close to +2.
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