Chem. J. Chinese Universities ›› 1998, Vol. 19 ›› Issue (11): 1783.

• Articles • Previous Articles     Next Articles

Theoretical Study on the Electronic Structures of C120 O-and C120 O2-

TIAN Wei-Quan, FENG Ji-Kang, REN Ai-Min, GE Mao-Fa, HUANG Xu-Ri, LI Zhi-Ru, SUN Jia-Zhong   

  1. The National Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, 130023
  • Received:1997-09-02 Online:1998-11-24 Published:1998-11-24

Abstract: The electronic structures of ions C120 O- and C120 O2- of C120 Owere investigated with INDOseries methods. The results suggested that the negative charge of C120 O- and C120 O2- distributed equivalently over the two C60 cages and there was a weak interaction between the two cages in those ions. The ground state of C120 O2- is triplet.

Key words: C120 O-, C120 O2-, Electronic structure

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