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    1, 5-二硝胺基四唑及其含能离子盐的合成与性能

    Syntheses and properties of 1, 5-di(nitramino)tetrazole and its energetic ion salts

    • 摘要: 以自制的1-甲氧基甲酰基-1,5-二氨基四唑(MCDAT)为原料,经硝解、酸化、中和、复分解等反应合成了高能材料1,5-二硝胺基四唑(DNAT)及其含能离子盐-铵盐(DADNAT)、肼盐(DHDNAT)、羟胺盐(DHADNAT)、3,4-二氨基呋咱盐(DAFDNAT)、1,5-二氨基四唑盐(DATDNAT)、脒基脲盐(DGUDNAT)、1-羟基-5-氨基四唑盐(DHATDNAT)和3,6-二肼基四嗪盐(DHTDNAT)。采用红外光谱(IR)、核磁共振(1H-NMR、13C-NMR)及元素分析(EA)表征了化合物结构;改进了DADNAT和DHDNAT的合成工艺,简化了操作,提高了收率;采用差示扫描量热(DSC)方法对DNAT及其含能离子盐的热性能进行了分析,热分解峰温度分别为94.07、192.10、142.83、146.71、261.85、251.77、228.62、198.92和189.66℃;采用Gaussian 09程序的CBS-4M方法和Kamlet-Jacobs方程预估了目标物的爆轰性能,结果表明,DNAT及其含能离子盐是一类性能优良的新型高能量密度材料。

       

      Abstract: Using lab-prepared 1-methoxycarbonyl-1, 5-diaminotetrazole (MCDAT) as the raw material, high energy materials:1, 5-di(nitramino)tetrazole (DNAT) and its energetic ion salts, i.e. DRDNAT (R=ammonia, hydrazine, hydroxylamine, 3, 4-diaminofurazan, 1, 5-diaminotetrazole, guanyl urea, 1-hydroxyl-5-aminotetrazole and 3, 6-dihydrazinotetrazine) were synthesized via nitrification, acidification, neutralization and metathesis reactions. The structures of target compounds were confirmed by IR spectra, 1H NMR, 13C NMR and elemental analysis. The synthetic methods of DADNAT and DHDNAT were improved by simplifying the operation and increasing the yield. Furthermore, The thermal performance of all compounds were tested by differential scanning calorimetry (DSC), the thermal decomposition peak temperatures of DNAT and its energetic ion salts were 94.07, 192.10, 142.83, 146.71, 261.85, 251.77, 228.62, 198.92 and 189.66℃, respectively. Based on the calculated (CBS-4M) heats of formation and the densities, the detonation parameters such as detonation velocity, detonation pressure and detonation energy of all compounds were computed using Kamlet-Jacobs equations. Results show that DNAT and its energetic ion salts are new high energy density materials.

       

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