物理化学学报 >> 1998, Vol. 14 >> Issue (08): 673-675.doi: 10.3866/PKU.WHXB19980801

通讯    下一篇

CICOCO自由基的研究

毛文涛, 李强, 苏红梅, 孔繁敖   

  1. 分子反应动力学国家重点实验室，中国科学院化学研究所，北京100080
  • 收稿日期:1998-04-01 修回日期:1998-05-08 发布日期:1998-08-15
  • 通讯作者: 孔繁敖

Study of CICOCO Free Radical

Mao Wen-Tao, Li Qiang, Su Hong-Mei, Kong Fan-Ao   

  1. State Key Laboratory of Molecular Reaction Dynamics Institute of Chemistry,Chinese Academy of Sciences,Beijing 100080
  • Received:1998-04-01 Revised:1998-05-08 Published:1998-08-15
  • Contact: Kong Fan-Ao

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关键词: CICOCO自由基, ab initio计算, 时间分辨-富里叶红外光谱

Abstract:

The free radical of CICOCO has been investigated theoretically and experimentally Geometry、vibrational frequencies and dissociative energy barrier of the ground state of CICOCO were obtained by ab initio calculations. By 351 nm photolysis of (CICO)2, CICOCO's infrared emission at 1844 cm-1 was recorded by TRFTIR spectrometer.

Key words: CICOCO, Ab initio Calculation, Tr-FTIR spectroscopy