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Salts of 2-methyl-5-nitraminotetrazolate - Low sensitivity secondary explosives

机译:2-甲基-5-硝基氨基四唑酸盐-低敏二次炸药

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2-Methyl-5-nitraminotetrazole (1) was formed by nitration of 2-methyl-5-aminotetrazole. 2-Methyl-5-aminotetrazole was obtained by methylation of sodium 5-aminotetrazolate. Nitrogen-rich salts such as guanidinium (2), 1-aminoguanidinium (3), 1,3-diamino-guanidinium (4), 1,3,5-triamino-guanidinium (5), azidoformamidinium 2-methyl-5-nitriminotetrazolate (6) as well as an urea adduct (7) were prepared by facile deprotona-tion or metathesis reactions. All compounds were fully characterized by single crystal X-ray diffraction, vibrational spectroscopy (IR and Raman), multinuclear NMR spectros-copy, elemental analysis and DSC measurements. The heats of formation of 2-7 were calculated using the atomization method based on CBS-4M enthalpies. With these values and the experimental (X-ray) densities several detonation parameters such as the detona-tion pressure, velocity, energy and temperature were computed using the EXPL05 code. In addition, the sensitivities towards impact, friction and electrical discharge were tested us-ing the BAM drop hammer, a friction tester as well as a small scale electrical discharge device.
机译:通过将2-甲基-5-氨基四唑硝化形成2-甲基-5-硝基氨基四唑(1)。通过5-氨基四唑酸钠的甲基化获得2-甲基-5-氨基四唑。富氮盐,例如胍盐(2),1-氨基胍盐(3),1,3-二氨基胍盐(4),1,3,5-三氨基胍盐(5),叠氮基甲ami 2-甲基-5-氮杂氨基四唑酸酯通过容易的去质子化或易位反应制备了(6)以及尿素加合物(7)。所有化合物均通过单晶X射线衍射,振动光谱(IR和拉曼光谱),多核NMR光谱,元素分析和DSC测量进行了充分表征。使用基于CBS-4M焓的雾化方法计算2-7的形成热。利用这些值和实验(X射线)密度,使用EXPL05代码计算了几个爆轰参数,例如爆轰压力,速度,能量和温度。此外,使用BAM落锤,摩擦测试仪以及小型放电装置对冲击,摩擦和放电的敏感性进行了测试。

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