Acta Chimica Sinica ›› 2006, Vol. 64 ›› Issue (3): 218-222. Previous Articles     Next Articles

几种多氮杂环高能化合物的光电子能谱与紫外吸收光谱

孙政,曾小庆,王炜罡,葛茂发*,王殿勋*   

  1. (中国科学院化学研究所 北京 100080)
  • 投稿日期:2005-08-09 修回日期:2005-10-25 发布日期:2006-02-14
  • 通讯作者: 葛茂发

Photoelectron Spectroscopy and UV Absorption Spectroscopy Studies on Some Nitrogen Catenation Compounds

SUN Zheng, ZENG Xiao-Qing, WANG Wei-Gang, GE Mao-Fa*, WANG Dian-Xun*   

  1. (Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080)
  • Received:2005-08-09 Revised:2005-10-25 Published:2006-02-14
  • Contact: GE Mao-Fa

Compounds with a backbone of directly linked nitrogen atoms have high nitrogen concentration and high formation enthalpy. The end product of a propulsion or explosion of these compounds contained mainly molecular nitrogen. Therefore, the study on them as potential environment-friendly propellants and explosives was of great interest recently. In this paper, the ionization potentials of 1H-tetrazole (1), 5-aminotetrazole (2), 1,5-diaminotetrazole (3) and 1,4-bis(1-methyltetrazol-5-yl)-1,4-dimethyl-2-tetrazene (4) were reported, which were recorded by photoelectron spectroscopy. The experiment gave the ionization potentials of the four compounds as 11.22, 9.40, 9.27, 9.18 eV respectively. The UV absorption spectra showed that there was only one absorption band in compounds 13, at 193, 216, 218 nm respectively, while compound 4 had two UV absorption bands at 230 and 298 nm.

Key words: high energy material, nitrogen catenation, photoelectron spectroscopy, UV absorption spectroscopy, quantum chemistry calculation