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4-Nitro-3-(5-tetrazole)furoxan and Its Salts: Synthesis, Characterization, and Energetic Properties

机译:4-硝基-3-(5-四唑)呋喃喃及其盐类的合成,表征和能量性质

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摘要

A series of new energetic salts based on 4-nitro-3-(5-tetrazole)-furoxan (HTNF) has been synthesized. All of the salts have been fully characterized by nuclear magnetic resonance (~1H and ~(13)C), infrared (IR) spectroscopy, elemental analysis, and differential scanning calorimetry (DSC). The crystal structures of neutral HTNF (3) and its ammonium (4) and N-carbamoylguanidinium salts (9) have been determined by single-crystal X-ray diffraction analysis. The densities of 3 and its nine salts were found to range from 1.63 to 1.84gcm~(-3). Impact sensitivities have been determined by hammer tests, and the results ranged from 2 J (very sensitive) to >40J (insensitive). Theoretical performance calculations (Gaussian 03 and EXPLO 5.05) provided detonation pressures and velocities for the ionic compounds 4-12 in the ranges 25.5-36.2 GPa and 7934-8919 ms~(-1), respectively, which make them competitive energetic materials.
机译:合成了一系列基于4-硝基-3-(5-四唑)-呋喃聚糖(HTNF)的新的高能盐。所有这些盐均已通过核磁共振(〜1H和〜(13)C),红外(IR)光谱,元素分析和差示扫描量热法(DSC)进行了全面表征。中性HTNF(3)及其铵(4)和N-氨基甲酰基胍盐(9)的晶体结构已通过单晶X射线衍射分析确定。发现3及其9种盐的密度为1.63至1.84gcm〜(-3)。冲击敏感度已通过锤击测试确定,结果范围从2 J(非常敏感)到> 40J(不敏感)。理论性能计算(高斯03和EXPLO 5.05)分别提供了离子化合物4-12在25.5-36.2 GPa和7934-8919 ms〜(-1)范围内的爆炸压力和速度,这使它们成为具有竞争力的高能材料。

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