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Bond Distortion and Electron States in Charged $C_{60}{^2-}$

  • Fu, Rong-Tang (Department of Physics, Fudan University) ;
  • Fu, Rou-Li (National Laboratory of Infrared Physics, Shanghai Institute of Technical Physics) ;
  • Lee, Kee-Hag (Department of Chemistry, WonKwang University) ;
  • Sun, Xin (Department of Physics, Fudan University) ;
  • Ye, Hong-Juan (National Laboratory of Infrared Physics, Shanghai Institute of Technical Physics)
  • Published : 1993.12.20

Abstract

By considering both electron-electron and electron-lattice interactions, the effect of charge transfer on the bond structure and electronic states of $C_{60}$ is studied without configuration limitation. The results show that the electron-electron interaction does not eliminate the layer structure of the bond distortion and the self-trapping of transferred electrons. For charged ${C_{60}}^{2-}$, there exist two localized electronic states, which possess laminar wave functions, and four nonequivalent groups of carbon atoms, which induce a fine-structure in the NMR spectrum line.

Keywords

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Cited by

  1. Site-Pairing of Electron in Doped C60 vol.12, pp.8, 1993, https://doi.org/10.1088/0256-307x/12/8/002