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Crystal Engineering for Creating Low Sensitivity and Highly Energetic Materials
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2018-09-06 00:00:00 , DOI: 10.1021/acs.cgd.8b00929
Chaoyang Zhang 1, 2 , Fangbao Jiao 1 , Hongzhen Li 1
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2018-09-06 00:00:00 , DOI: 10.1021/acs.cgd.8b00929
Chaoyang Zhang 1, 2 , Fangbao Jiao 1 , Hongzhen Li 1
Affiliation
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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 π-bonded energetic molecule with an oxygen balance close to zero and a hydrogen bond-aided face-to-face π–π molecular stacking is preferred as a LSHEM. Hopefully, this Perspective will set a root for establishing a systematic theory for creating LSHEMs.
中文翻译：
用于创建低灵敏度和高能量材料的晶体工程
能源和安全是高能材料（EM）的两个最重要的方面，尽管它们通常彼此矛盾：高能量通常与低安全性并存。低灵敏度和高能材料（LSHEM）很好地平衡了能量和安全性，因此非常需要广泛的应用。尽管如此，总的来说，能源安全矛盾，能源和部件限制以及对EM的部件，结构，特性和性能之间的关系的了解不足，导致了LSHEM甚至整个EM的发展，发展缓慢。本观点着眼于在澄清EMs的能量安全矛盾和晶体堆积-碰撞敏感性关系方面的最新进展。还，我们提出了通过晶体工程来创建新的LSHEM或脱敏EM的策略，涵盖了由中性单组分分子，高能共晶体和高能离子盐组成的传统EM。构造LSHEM时要考虑分子和晶体的两个固有结构水平：在分子水平上，建议在键中存储大量化学能，同时避免在高能分子中形成太弱而无法固有平衡能量的任何键形成和安全; 在晶体水平上，建议增强分子间的相互作用，以增加堆积紧密度和能量密度，并增强分子间相互作用的各向异性，以促进剪切剪切滑移和降低机械灵敏度。总体而言，作为LSHEM，首选具有氧平衡接近零且氢键辅助的π-π分子堆叠的大π键结合的高能分子。希望这一观点将为建立用于创建LSHEM的系统理论奠定基础。
更新日期：2018-09-06
中文翻译：
用于创建低灵敏度和高能量材料的晶体工程
能源和安全是高能材料（EM）的两个最重要的方面，尽管它们通常彼此矛盾：高能量通常与低安全性并存。低灵敏度和高能材料（LSHEM）很好地平衡了能量和安全性，因此非常需要广泛的应用。尽管如此，总的来说，能源安全矛盾，能源和部件限制以及对EM的部件，结构，特性和性能之间的关系的了解不足，导致了LSHEM甚至整个EM的发展，发展缓慢。本观点着眼于在澄清EMs的能量安全矛盾和晶体堆积-碰撞敏感性关系方面的最新进展。还，我们提出了通过晶体工程来创建新的LSHEM或脱敏EM的策略，涵盖了由中性单组分分子，高能共晶体和高能离子盐组成的传统EM。构造LSHEM时要考虑分子和晶体的两个固有结构水平：在分子水平上，建议在键中存储大量化学能，同时避免在高能分子中形成太弱而无法固有平衡能量的任何键形成和安全; 在晶体水平上，建议增强分子间的相互作用，以增加堆积紧密度和能量密度，并增强分子间相互作用的各向异性，以促进剪切剪切滑移和降低机械灵敏度。总体而言，作为LSHEM，首选具有氧平衡接近零且氢键辅助的π-π分子堆叠的大π键结合的高能分子。希望这一观点将为建立用于创建LSHEM的系统理论奠定基础。
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