Green Energetic Nitrogen-Rich Salts of 1,1'-Dinitramino-5,5'-bistetrazolate

Piao He; Le Wu; Jinting Wu; Qianyou Wang; Zhimin Li; Michael Gozin; Jianguo Zhang

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Green Energetic Nitrogen-Rich Salts of 1,1'-Dinitramino-5,5'-bistetrazolate

机译：绿色精力充沛的富含盐的富含盐，1,1'-二硝基氨基-5.5' - istetrazolate

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摘要

A series of nitrogen-rich energetic salts of 1,1'-dinitramino-5,5'-bistetrazolate (DNABT) guanidinium (1), aminoguanidinium (2), diaminoguanidinium (3), triaminoguanidinium (4), diaminouronium (5), 3,4-diamino-1,2,4-triazolium (6), and ethylenediammonium (7) was synthesized by a metathesis strategy and characterized by elemental analysis, mass spectrometry, and IR spectroscopy as well as single-crystal Xray diffraction and differential scanning calorimetry (DSC). The natural bond orbitals (NBOs) and electrostatic potentials (ESPs) were further computed for a better understanding of the structures of the DNABT molecule. The heats of formation were calculated based on the Born-Haber energy cycle. The detonation parameters were evaluated by using the EXPLO_5 program, and the sensitivities were measured according to BAM standers. These new salts exhibit highly positive heats of formation (407.0-1377.9 kJmol~(-1)) and good thermal stabilities (180-211°C). Most of these compounds possess detonation velocities comparable to RDX and acceptable detonation pressures. The high volumes of explosion gases of the salts 3 and 4 (921 and 933 Lkg~(-1), respectively) further support their power as explosives. The enhancing performances, the fact of being free of metals, and the more moderate sensitivities than K2DNABT, suggest that the salts 4 (D=8851 ms~(-1), P=29.0 GPa), 5 (D=9053 ms~(-1), P=32.3 GPa), and 6 (D=8835 ms~(-1), P=30.2 GPa) might be potential environmentally friendly energetic materials.

机译：一系列富含氮的能量盐为1,1'-二硝基氨基-5,5,5'-双级唑（DNABT）胍（1），氨基胍（2），二氨基胍（3），Triaminoguanidinium（4），二喹啉（5），通过复分解策略合成3,4-二氨基-1,2,4-三唑鎓（6）和乙二醇（7），并通过元素分析，质谱和IR光谱，以及单晶X射线衍射和差分扫描量热法（DSC）。进一步计算天然键轨道（NBOS）和静电电位（ESP）以更好地理解DNABT分子的结构。基于孕产量的能量循环计算形成热量。通过使用Explo_5程序评估爆炸参数，并且根据BAM标签测量灵敏度。这些新盐表现出高度积极的形成热量（407.0-1377.9 kJmol〜（-1））和良好的热稳定性（180-211℃）。大多数这些化合物具有与RDX和可接受的爆炸压力相当的爆轰速度。盐3和4（921和933 LKG〜（-1）分别的高体积爆炸气体进一步支持其作为炸药的功率。增强的性能，没有金属的事实以及比k2dnabt更温和的敏感性，表明盐4（d = 8851ms〜（-1），p = 29.0 gpa），5（d = 9053ms〜（ -1），p = 32.3 gpa）和6（d = 8835ms〜（-1），p = 30.2 gpa）可能是潜在的环保能量材料。

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来源
《Chemistry: A European journal》 |2017年第46期|共10页
作者
Piao He; Le Wu; Jinting Wu; Qianyou Wang; Zhimin Li; Michael Gozin; Jianguo Zhang;
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作者单位

State Key Laboratory of Explosion Science and Technology Beijing Institute of Technology Beijing 100081 (P. R. China);

State Key Laboratory of Explosion Science and Technology Beijing Institute of Technology Beijing 100081 (P. R. China);

State Key Laboratory of Explosion Science and Technology Beijing Institute of Technology Beijing 100081 (P. R. China);

State Key Laboratory of Explosion Science and Technology Beijing Institute of Technology Beijing 100081 (P. R. China);

Department of Chemical and Biomolecular Engineering The Hong Kong University of Science and Technology Hong Kong (P. R. China);

School of Chemistry Faculty of Exact Science Tel Aviv University Tel Aviv 69978 (Israel);

State Key Laboratory of Explosion Science and Technology Beijing Institute of Technology Beijing 100081 (P. R. China);

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正文语种 eng
中图分类应用化学;
关键词
1; 1'-dinitramino-5; 5'-bistetrazoles; detonation performances; explosives; nitrogen-rich salt; sensitivities;

机译：1;1'-DINITRAMINO-5;5'- BISTRAZOLS;爆炸性能;爆炸物;富含氮的盐;敏感性;

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专利

1. Green Energetic Nitrogen-Rich Salts of 1,1'-Dinitramino-5,5'-bistetrazolate [J] . Piao He, Le Wu, Jinting Wu, Chemistry: A European journal . 2017,第46期

机译：绿色精力充沛的富含盐的富含盐，1,1'-二硝基氨基-5.5' - istetrazolate
2. Preparation and characterization of nitrogen-rich bis-1-methylimidazole1H,1'H-5,5'-bistetrazole-1,1'-diolate energetic salt [J] . Luo Liqiong, Jin Bo, Peng Rufang, Journal of thermal analysis and calorimetry . 2019,第6期

机译：富含氮双-1-甲基咪唑的制备与表征1H，1'H-5,5'-双四唑-1,1'-二氢盐能量盐
3. Preparation, Crystal and Properties of Nitrogen-Rich Energetic Salt of Bis(semicarbazide) 5,5′-Bitetrazole-1,1′-diolate [J] . Zhi-Bin Zhang, Lei Yin, Xin Yin, Crystals . 2016,第2期

机译：双（氨基脲）5,5'-苯并恶唑-1,1'-二醇盐的富氮高能盐的制备，结晶和性能
4. 5,5'-Dinitramino-3,3'-bi( 1,2,4-oxadiazole) and its energetic salts -a series of energetic materials with good performance [C] . Yupeng Cao, Xiangyang Lin Seminar on new trends in research of energetic materials . 2019

机译：5,5'-Dinitramino-3,3'-bi（1,2,4-oxadiazole）及其高能盐-一系列性能良好的高能材料
5. Gas-phase electron-diffraction investigations of (I)~WF(6), ReF(6), OsF(6), IrF(6), PtF(6), O(2)+PtF(6)-; (II)~3-aminoacrolein; (III)~3-chloro-1-propanol; (IV)~2,2',5,5'-tetramethyl-1,1'-distibaferrocene. [D] . Richardson, Alan D. 1997

机译：（I）〜WF（6），ReF（6），OsF（6），IrF（6），PtF（6），O（2）+ PtF（6）-的气相电子衍射研究; （II）〜3-氨基丙烯醛; （III）〜3-氯-1-丙醇; （IV）〜2,2'，5,5'-四甲基-1,1'-二茂铁。
6. Syntheses and Promising Properties of Dense Energetic 55′-Dinitramino-33′-azo-124-oxadiazole and Its Salts [O] . Dr. Yongxing Tang, Prof. Dr. Haixiang Gao, Dr. Lauren A. Mitchell, -1

机译：致密55-Dinitramino-33-azo-124-恶二唑及其盐的合成及有前途的性质
7. Preparation, Crystal and Properties of Nitrogen-Rich Energetic Salt of Bis(semicarbazide) 5,5′-Bitetrazole-1,1′-diolate [O] . Zhi-Bin Zhang, Lei Yin, Xin Yin, 2016

机译：双（氨基脲）5,5'-四唑-1,1'-二醇盐富氮高能盐的制备，晶体和性质
8. Theoretical Prediction of the Heats of Formation, Densities and Relative Sensitivities, and/or Synthetic Approaches Toward the Synthesis of High Energy Dense Materials (HEDMs): 3,5-Dinitro-1,3,5-Oxadiazinane, Bis-Adjacent RDX, Bis-Adjacent HMX, 4,4',6,6'-Tetranitro-1,1'-Bis(N-oxide)-5,5',6,6'-4H,4'H-5,5'-Bisimidazo Oxadiazole, and the Open-Cage Derivative of CL-20. [R] . Byrd, E. F., Sabatini, J. J. 2015

机译：形成热，密度和相对灵敏度的理论预测，和/或合成高能量密集材料（HEDms）的合成方法：3,5-二硝基-1,3,5-恶二唑烷，双相邻RDX，Bis - 相邻的HmX，4,4'，6,6'-四硝基-1,1'-双（N-氧化物）-5,5'，6,6'-4H，4'H-5,5'-双咪唑恶二唑和CL-20的开笼衍生物。

Green Energetic Nitrogen-Rich Salts of 1,1'-Dinitramino-5,5'-bistetrazolate

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