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Energetic Salts with π-Stacking and Hydrogen-Bonding Interactions Lead the Way to Future Energetic Materials
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2015-01-23 , DOI: 10.1021/ja5126275 Jiaheng Zhang 1 , Qinghua Zhang 1, 2 , Thao T. Vo 1, 3 , Damon A. Parrish 4 , Jean’ne M. Shreeve 1
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2015-01-23 , DOI: 10.1021/ja5126275 Jiaheng Zhang 1 , Qinghua Zhang 1, 2 , Thao T. Vo 1, 3 , Damon A. Parrish 4 , Jean’ne M. Shreeve 1
Affiliation
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Among energetic materials, there are two significant challenges facing researchers: 1) to develop ionic CHNO explosives with higher densities than their parent nonionic molecules and (2) to achieve a fine balance between high detonation performance and low sensitivity. We report a surprising energetic salt, hydroxylammonium 3-dinitromethanide-1,2,4-triazolone, that exhibits exceptional properties, viz., higher density, superior detonation performance, and improved thermal, impact, and friction stabilities, then those of its precursor, 3-dinitromethyl-1,2,4-triazolone. The solid-state structure features of the new energetic salt were investigated with X-ray diffraction which showed π-stacking and hydrogen-bonding interactions that contribute to closer packing and higher density. According to the experimental results and theoretical analysis, the newly designed energetic salt also gives rise to a workable compromise in high detonation properties and desirable stabilities. These findings will enhance the future prospects for rational energetic materials design and commence a new chapter in this field.
中文翻译：
具有 π 堆积和氢键相互作用的高能盐引领未来高能材料之路
在含能材料中，研究人员面临两个重大挑战：1) 开发密度高于其母体非离子分子的离子 CHNO 炸药；(2) 在高爆震性能和低灵敏度之间实现良好平衡。我们报告了一种令人惊讶的高能盐，即羟铵 3-二硝基甲烷-1,2,4-三唑酮，它表现出特殊的性质，即更高的密度、卓越的爆震性能以及改进的热、冲击和摩擦稳定性，然后是其前体, 3-二硝基甲基-1,2,4-三唑酮。用 X 射线衍射研究了新高能盐的固态结构特征，显示出 π 堆积和氢键相互作用，有助于更紧密的堆积和更高的密度。根据实验结果和理论分析，新设计的高能盐还在高爆轰特性和理想的稳定性方面产生了可行的折衷。这些发现将增强合理含能材料设计的未来前景，并开启该领域的新篇章。
更新日期：2015-01-23
中文翻译：
具有 π 堆积和氢键相互作用的高能盐引领未来高能材料之路
在含能材料中，研究人员面临两个重大挑战：1) 开发密度高于其母体非离子分子的离子 CHNO 炸药；(2) 在高爆震性能和低灵敏度之间实现良好平衡。我们报告了一种令人惊讶的高能盐，即羟铵 3-二硝基甲烷-1,2,4-三唑酮，它表现出特殊的性质，即更高的密度、卓越的爆震性能以及改进的热、冲击和摩擦稳定性，然后是其前体, 3-二硝基甲基-1,2,4-三唑酮。用 X 射线衍射研究了新高能盐的固态结构特征，显示出 π 堆积和氢键相互作用，有助于更紧密的堆积和更高的密度。根据实验结果和理论分析，新设计的高能盐还在高爆轰特性和理想的稳定性方面产生了可行的折衷。这些发现将增强合理含能材料设计的未来前景，并开启该领域的新篇章。
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