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• W2015403984 abstract "The structures of three structural isomers of Sc2@C84(I, II, III) have been determined by 13C NMR and have Cs, C2v, and D2d point group symmetry, respectively. By IR measurements, we have determined that the peaks below 110 cm-1 originate from the scandium-cage vibrational modes based on temperature-dependent IR experiments. Line broadenings of the Sc-cage modes below 110 cm-1 are quite different from those of the C84 (empty) cage modes in far-IR spectra. Sc-cage vibrational modes below 300 cm-1 in Raman spectra are also identified. The force constants of the Sc-cage vibrations based on a linear three-mass-oscillator model indicate that the charge state of Sc atoms are close to +2." @default.
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• W2015403984 date "2000-05-03" @default.
• W2015403984 modified "2023-10-14" @default.
• W2015403984 title "Structural and Electronic Properties of Isomers of Sc₂@C₈₄(I, II, III): ¹³C NMR and IR/Raman Spectroscopic Studies" @default.
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• W2015403984 doi "https://doi.org/10.1021/jp000438l" @default.
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