高等学校化学学报 ›› 1991, Vol. 12 ›› Issue (6): 791.

• 论文 • 上一篇    下一篇

不同质量Cn笼电子结构和UV谱的理论研究

李君1, 封继康1, 李志儒1, 王志中2   

  1. 1. 吉林大学化学系长春, 130023;
    2. 吉林大学理论化学研究所
  • 收稿日期:1989-09-26 出版日期:1991-06-24 发布日期:1991-06-24
  • 通讯作者: 封继康
  • 基金资助:

    国家自然科学基金

A Theoretical Study on the Electronic Structure and UV Spectra of Different Mass Cn Cages

Li Jun1, Feng Ji-kang1, Li Zhi-ru1, Wang Zhi-zhong2   

  1. 1. Department of Chemistry, Jilin Unwer sity, Changchun, 130023;
    2. Institute of Theoretical Chemistry, Jilin University
  • Received:1989-09-26 Online:1991-06-24 Published:1991-06-24

摘要: 用INDO/2和INDO/CI方法研究了C24、C50、C60和C70的电子结构和UV谱。稳定性的顺序为C60~C70>C50>>C24。以C60为中心向两边的Cn原子簇,其UV谱发生红移。

关键词: 不同质量的C笼, 稳定性, UV谱

Abstract: The electronic structrue and UVspectra of C24, C50, C60 and C70 have been investigated by use of the INDO/2 and INDO/CI methods. The stability order is C60~C70>C50》C24. From C60, as the center, to other Cn, clusters in two sides, the UV spectrum shows red shift.

Key words: Different mass Cncages, Stability, UV Spectra

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