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Crystal Engineering for Creating Low Sensitivity and Highly Energetic Materials

机译：用于创造低灵敏度和高度充电能材料的水晶工程

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摘要

Energy and safety are the two most important concerns of energetic materials (EMs), while they usually contradict each other: the high energy typically goes together with low safety. Low sensitivity and highly energetic materials (LSHEMs) balance well the energy and safety and thus are highly desired for extensive applications. Nevertheless, on the whole, the energy safety contradiction, the energy and component limits, and insufficient knowledge about the relationships among components, structures, and properties and performances of EMs have made the development of LSHEMs, or even the entire group of EMs, evolve slowly. This Perspective focuses upon the current progress in the clarifications of the energy safety contradiction and the crystal packing impact sensitivity relationship of EMs. Also, we propose strategies for creating new LSHEMs or desensitized EMs through crystal engineering, covering traditional EMs composed of neutral single-component molecules, energetic cocrystals, and energetic ionic salts. Two levels of intrinsic structures, molecule and crystal, are accounted for in constructing LSHEMs: at the molecular level, it is proposed to store much chemical energy in bonds while avoiding any bond formation in an energetic molecule that is too weak to intrinsically balance the energy and safety; at the level of crystal, it is suggested that intermolecular interactions be enhanced to increase packing compactness and energy density and to strengthen the anisotropy of the intermolecular interactions to facilitate ready shear slide and low mechanical sensitivity; and overall, a big pi-bonded energetic molecule with an oxygen balance close to zero and a hydrogen bond-aided face-to-face pi-pi molecular stacking is preferred as a LSHEM. Hopefully, this Perspective will set a root for establishing a systematic theory for creating LSHEMs.
机译：能源和安全是能量材料（EMS）的两个最重要的问题，而它们通常相互矛盾：高能量通常与低安全性相处。低灵敏度和高度充电能的材料（LSHEMS）平衡能量和安全性，因此非常需要广泛的应用。然而，整体而言，能源安全矛盾，能源和组件限制，以及对EMS的组件，结构和性质和性能和EMS性能之间的关系的知识都取得了LSHEMS的发展，甚至是整个EMS，进化慢慢地。该观点侧重于电流在澄清能量安全矛盾和EMS晶体包装冲击敏感性关系中的进展。此外，我们提出了通过Crystal Engineering创建新的LSHEMS或脱敏EMS的策略，涵盖由中性单组分分子，能量COCrystals和能量离子盐组成的传统EMS。两种含量的内在结构，分子和晶体，占构建Lshems：在分子水平时，提出在粘合中储存大量化学能，同时避免过度平衡能量的能量分子中的任何键形成和安全;在晶体水平上，建议增强分子间相互作用以提高包装紧凑性和能量密度，并加强分子间相互作用的各向异性，以促进就绪剪切滑动和低机械敏感性;并且总体而言，优选具有靠近零的氧平衡和氢粘合的面对面PI-PI-PI-PI分子堆叠的大型PI键合能量分子作为LSHEM。希望，这种观点将设立一个根本，用于建立创造Lshems的系统理论。

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  • 来源
    《Crystal growth & design》 |2018年第10期|共14页
  • 作者

    Zhang Chaoyang; Jiao Fangbao; Li Hongzhen;

  • 作者单位

    CAEP Inst Chem Mat POB 919-311 Mianyang 621900 Sichuan Peoples R China;

    CAEP Inst Chem Mat POB 919-311 Mianyang 621900 Sichuan Peoples R China;

    CAEP Inst Chem Mat POB 919-311 Mianyang 621900 Sichuan Peoples R China;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 晶体学;
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