高等学校化学学报 ›› 1988, Vol. 9 ›› Issue (9): 907.
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陈博仁1, 肖鹤鸣2, 李永富2
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Chen Boren1, Xiao Heming2, Li Yongfu2
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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
TrendMD:
陈博仁, 肖鹤鸣, 李永富. 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. 高等学校化学学报, 1988, 9(9): 907.
Chen Boren, Xiao Heming, Li Yongfu. The Syntheses, Properties and Electronic Structure of the Eight-Membered Ring Explosives Containing N-NO and Gem-dinitro Groups. Chem. J. Chinese Universities, 1988, 9(9): 907.
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http://www.cjcu.jlu.edu.cn/CN/Y1988/V9/I9/907