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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 14, Number 6
BKCSDE 14(6)
June 20, 1993 

Bond Distortion and Electron States in Charged C602-
Rong Tang Fu, Rouli Fu, Kee Hag Lee*, Xin Sun, Hong Juan Ye
By considering both electron-electron and electron-lattice interactions, the effect of charge transfer on the bond structure and electronic states of C60 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 C602-, 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.
740 - 743
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