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首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >Axial substitution of a precursor resulted in two high-energy copper(II) complexes with superior detonation performances
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Axial substitution of a precursor resulted in two high-energy copper(II) complexes with superior detonation performances

机译：前体的轴向取代导致两种高能量铜（II）复合物，具有卓越的爆炸性能

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摘要

The design and synthesis of explosives with high performance, good thermal stability, and low sensitivity is an important subject for the development of energetic materials. Energetic complexes have recently emerged as a promising energetic material form. As one of the representatives, [Cu(Htztr)(2)(H2O)(2)](n) (H(2)tztr = 3-(1H-tetrazol-5-yl)-1H-triazole) was previously reported with good energetic performance, outstanding thermostability (T-dec = 345 degrees C) and low sensitivity to impact and friction stimuli. However, due to the existence of water molecules, its effective energy density is remarkably decreased, resulting in a diminished detonation performance. In order to further improve the detonation performance, using [Cu(Htztr)(2)(H2O)(2)] n as a precursor,{[Cu(Htztr)(H2O)]NO3}(n) (1) and [Cu(H(2)tztr)(2)(HCOO)(2)](n) (2) were synthesized by the axial substitution reaction with NO3- and HCOO-. The structures of 1 and 2 were characterized by single crystal X-ray diffraction. Both of them exhibit high thermal stabilities and insensitivities to impact and friction. Moreover, the same DFT calculation methodology shows that the heat of detonation of 2 (3.5663 kcal g(-1)) is significantly higher than that of the precursor [Cu(Htztr)(2)(H2O)(2)](n) (2.1281 kcal g-1). Meanwhile, the empirical Kamlet-Jacobs equations were used to theoretically predict the detonation properties of the title complexes, and the results show that 1 and 2 have excellent detonation velocity (D) and detonation pressure (P).
机译：具有高性能，良好热稳定性和低灵敏度的爆炸物的设计和合成是能量材料开发的重要主题。精力充沛的综合体最近被出现为有前途的能量材料形式。作为其中一种代表，[Cu（HTZTR）（2）（2）（2）（2）（2）]（N）（H（2）TZTR = 3-（1H-四唑-5-基）-1H-三唑）进行了报道具有良好的能量性能，突出的热稳定性（T-DEC = 345摄氏度）和对冲和摩擦刺激的低灵敏度。然而，由于水分子的存在，其有效能量密度显着降低，导致爆轰性能降低。为了进一步改善爆轰性能，使用[Cu（HTZTR）（2）（2）（2）] n作为前体，{[Cu（HTZTR）（H2O）] NO3}（n）（1）和[通过与NO 3和HCOO-的轴向取代反应合成Cu（H（2）TZTR）（2）（2）（2）（N）（2）。通过单晶X射线衍射表征1和2的结构。它们的两者都表现出高热稳定性和对冲击和摩擦的不敏感性。此外，相同的DFT计算方法表明，爆炸的热量为2（3.5663kcal g（-1））显着高于前体[Cu（htztr）（2）（2）（2）（2））（n） （2.1281 kcal g-1）。同时，经验性kamlet-jacobs方程用于理论上预测标题复合物的爆轰性能，结果表明，1和2具有优异的爆轰速度（d）和爆炸压力（p）。

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    Li Xin; Yang Qi; Wei Qing; Xie Gang; Chen Sanping; Gao Shengli;

  • 作者单位

    Northwest Univ Coll Chem &

    Mat Sci Key Lab Synthet &

    Nat Funct Mol Chem Minist Educ Xian 710127 Shaanxi Peoples R China;

    Northwest Univ Coll Chem &

    Mat Sci Key Lab Synthet &

    Nat Funct Mol Chem Minist Educ Xian 710127 Shaanxi Peoples R China;

    Northwest Univ Coll Chem &

    Mat Sci Key Lab Synthet &

    Nat Funct Mol Chem Minist Educ Xian 710127 Shaanxi Peoples R China;

    Northwest Univ Coll Chem &

    Mat Sci Key Lab Synthet &

    Nat Funct Mol Chem Minist Educ Xian 710127 Shaanxi Peoples R China;

    Northwest Univ Coll Chem &

    Mat Sci Key Lab Synthet &

    Nat Funct Mol Chem Minist Educ Xian 710127 Shaanxi Peoples R China;

    Northwest Univ Coll Chem &

    Mat Sci Key Lab Synthet &

    Nat Funct Mol Chem Minist Educ Xian 710127 Shaanxi Peoples R China;

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  • 正文语种 eng
  • 中图分类 化学;无机化学;
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