具有高性能和低感度的多硝基官能化偶氮吡唑作为新型含能材料

Polynitro-Functionalized Azopyrazole with High Performance and Low Sensitivity as Novel Energetic Materials.

作者信息

Zhang Guojie, Yi Zhenxin, Cheng Guangbin, Yang Wei, Yang Hongwei

机构信息

School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology, Xiaolingwei 200, Nanjing 210094, China.

Institute of Chemical Materials, China Academy of Engineering Physics (CAEP), Mianyang 621900, P. R. China.

出版信息

ACS Appl Mater Interfaces. 2022 Mar 2;14(8):10594-10604. doi: 10.1021/acsami.2c00154. Epub 2022 Feb 21.

DOI:10.1021/acsami.2c00154

PMID:35189684

Abstract

The development of energetic materials is still facing a huge challenge because the relationship between energy and sensitivity is usually contradictory: high energy is always accompanied with low sensitivity. Here, a high-energy, low-sensitivity energetic polynitro-functionalized azopyrazole (TNAP) and its energetic salts have been synthesized. The structural characterization of these compounds was analyzed by elemental analysis, H and C NMR spectroscopies, and infrared spectroscopy. The single-crystal structure of compounds KTNAP, TNAP, , and was obtained by X-ray diffraction, and KTNAP is a novel energetic metal-organic framework. The calculated detonation properties of TNAP (9040 m s and 36.0 GPa) are superior to that of RDX (8796 m s and 33.6 GPa). In addition, TNAP also has lower mechanical sensitivity (IS > 40 J, FS = 244 N) and higher decomposition temperature (T = 221 °C) than RDX (IS = 7.4 J, FS = 120 N, and T = 204 °C). These experimental results suggest that TNAP may become a new candidate for secondary explosives.

摘要

含能材料的发展仍面临巨大挑战，因为能量与感度之间的关系通常是相互矛盾的：高能量总是伴随着低感度。在此，合成了一种高能量、低感度的含能多硝基官能化偶氮吡唑（TNAP）及其含能盐。通过元素分析、氢核磁共振光谱、碳核磁共振光谱和红外光谱对这些化合物进行了结构表征。通过X射线衍射获得了化合物KTNAP、TNAP等的单晶结构，且KTNAP是一种新型的含能金属有机骨架。TNAP的计算爆轰性能（9040 m/s和36.0 GPa）优于黑索今（RDX，8796 m/s和33.6 GPa）。此外，TNAP还具有比RDX更低的机械感度（撞击感度>40 J，摩擦感度=244 N）和更高的分解温度（T = 221 °C）（RDX的撞击感度=7.4 J，摩擦感度=120 N，T = 204 °C）。这些实验结果表明TNAP可能成为一种新型的单质炸药候选物。