作者: M. Krause , M. Hulman , H. Kuzmany , O. Dubay , G. Kresse
DOI: 10.1103/PHYSREVLETT.93.137403
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摘要: We report the observation of quantized rotational states a diatomic C2 unit in solid endohedral fullerene C(2)Sc(2)@C(84). The transitions induce periodic line pattern low energy Raman spectrum. constant B and C-C distance were found to be 1.73 cm(-1) 0.127 nm, respectively. Density functional calculations revealed an intrinsic barrier order only few meV for unit. Schrodinger equation involving potential was solved tensor matrix elements calculated, yielding good quantitative agreement with experiment. To our best knowledge this is first spectrum plane molecular rotor.