Chem. J. Chinese Universities ›› 1996, Vol. 17 ›› Issue (5): 773.

• Articles • Previous Articles     Next Articles

The Jahn-Teller Distortion of C60+ Radical

TENG Qi-Wen1, WU Shi2, SHANG Zhen-Feng1, FENG Ji-Kang2   

  1. 1. Department of Chemistry, Nankai University, Tianjin 300071;
    2. Department of Chemistry, Jilin University
  • Received:1995-05-29 Online:1996-05-24 Published:1996-05-24

Abstract: C60+radical has been optimized by using INDOmethod and the D5d geometry for C60+ was obtained.It is shown that the Jahn-Teller distortion took place in C60+indeed,which led to the lengthening of the C60sphere of original Ih symmetry along the C5 axis.There are 7 kinds of bonds and 4 types of atoms in C60+(D5d),and the single bonds were shortened whereas the double bonds were lengthened,i.e.,the bond lengths tend to an average.Because the positive charge and unpaired electron are mainly distributed near the equator of C60,the carbon atoms located close to the equator possess a higher reactivity.

Key words: C60+radical, Jahn-Teller distortion, INDO

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