Three Energetic 2,2′,4,4′,6,6′-Hexanitrostilbene Cocrystals Regularly Constructed by H-bonding, π-Stacking, and van der Waals Interactions,Crystal Growth & Design

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Three Energetic 2,2′,4,4′,6,6′-Hexanitrostilbene Cocrystals Regularly Constructed by H-bonding, π-Stacking, and van der Waals Interactions
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2018-03-08 00:00:00 , DOI: 10.1021/acs.cgd.8b00019
Yu Liu _{1,

2} , Shichun Li ₂ , Jinjiang Xu ₂ , Hongli Zhang ₃ , Yuxiang Guan ₂ , Huaiyu Jiang ₂ , Shiliang Huang ₂ , Hui Huang ₂ , Zeshan Wang ₁

Affiliation

Three new energetic 2,2′,4,4′,6,6′-hexanitrostilbene (HNS) cocrystals, HNS/4,4′-bipyridine, HNS/trans-1,2-bis(4-pyridyl)ethylene, and HNS/1,2-bis(4-pyridyl)ethane have been synthesized. A good geometric match and rich H-bonds have been observed between the selected coformer and HNS molecules in all three cocrystals. According to similar configuration and arrangement of HNS–coformer H-bonds, coformer–coformer π-stacking, and HNS–HNS H-bonding interactions, the three cocrystals have a common cocrystal architecture and show high thermal stability and improved sensitivity. This study is helpful for understanding the formation mechanism of energetic cocrystals and the design of new energetic cocrystals.

中文翻译：

通过H键，π堆积和范德华相互作用规则构造的三个高能2,2'，4,4'，6,6'-六硝基二苯乙烯共晶体

三个新的高能2,2'，4,4'，6,6'-六硝基sti（HNS）共晶体，HNS / 4,4'-联吡啶，HNS /反式-1,2-双（4-吡啶基）乙烯和已经合成了HNS / 1,2-双（4-吡啶基）乙烷。在所有三个共晶体中，在选定的共形成分子和HNS分子之间观察到良好的几何匹配和丰富的H键。根据HNS-共形成子H键，coformer-共形成π叠层和HNS-HNS H-键相互作用的相似配置和排列，这三种共晶具有共同的共晶结构，并显示出高的热稳定性和更高的灵敏度。这项研究有助于理解高能共晶的形成机理和新的高能共晶的设计。

更新日期：2018-03-08

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