高等学校化学学报 ›› 1988, Vol. 9 ›› Issue (9): 907.

• 论文 • 上一篇    下一篇

含N-NO和偕二硝基的八圆环炸药的合成、性质及其电子结构

陈博仁1, 肖鹤鸣2, 李永富2   

  1. 1. 北京工业学院六系;
    2. 华东工学院三系
  • 收稿日期:1987-03-04 出版日期:1988-09-24 发布日期:1988-09-24
  • 通讯作者: 肖鹤鸣

The Syntheses, Properties and Electronic Structure of the Eight-Membered Ring Explosives Containing N-NO and Gem-dinitro Groups

Chen Boren1, Xiao Heming2, Li Yongfu2   

  1. 1. Beijing Institute of Technology, Beijing;
    2. East China Institute of Technology, Nanjing
  • Received:1987-03-04 Online:1988-09-24 Published:1988-09-24

摘要: 本文报道3种新的含N-NO和偕二硝基的八圆环炸药的合成及其撞击感度、热安定性等实验结果。以N-NO置换它们分子中的N-NO2导致感度明显下降。CNDO/2计算表明,它们的偕二硝基中的C-N键较弱,可能是热分解的引发键。

关键词: 炸药, 撞击感度, 热安定性, CNDO/2计算

Abstract: This paper describes the syntheses of three new eight- membered ring explosives containing N-NOand gem-nitro groups. Some of their properties such as the impact sensitivity and thermal stability and others have been investigated. The electronic structures have been calculated by quantum chemical CNDO/2 method. It is shown that if the N-NO2 group in these molecules is substituted by N-NOgroup, then the impact sensitivity of these explosives will obviously become lower. The C-Nbond gem-dinitro group for each eight-membered ring explosives is probably the initiation bond of the thermal decomposition because the bond order of the C-Nbond in gem-dinitro group is the lowest, and the corresponding bond energy of ℃-Nbond is the lowest, the C-Nbond in gem-nitro group is comparatively weak.

Key words: explosive, impact sensitivity, thermal stability, CNDO/2 calculation

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