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Evident Hydrogen Bonded Chains Building CL-20-Based Cocrystals

机译:明显的氢键链构建基于CL-20的共晶

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摘要

We report two kinds of evident hydrogen bonded chains constructing two binary cocrystals of 2,4,6,8,10,12- hexanitrohexaazaisowurtzitane (CL-20) with para-benzoquinone (1) and 1,4-naphthoquinone (2): one kind is the CL-20 molecule chains linked by R_2~2 (6) hydrogen bonds, and the other is connected by CL-20 and coformer (1 or 2) molecules alternately through R_2~1 (5) hydrogen bonds. All chains extend to the entire cocrystals CL-20/1 and CL-20/2 with crossing points of CL-20 molecules. In contrast to the unremarkable intermolecular interactions in observed CL-20 polymorphs and cocrystals, these two kinds of chains in CL-20/1 and CL-20/2 are evident and can be readily understood using the definition of supramolecular synthons. Moreover, the thermal behaviors, impact sensitivity, and detonation properties of these two energetic cocrystals are reported.
机译:我们报告了两种明显的氢键链,它们与对苯醌(1)和1,4-萘醌(2)构成了2,4,6,8,10,12-六硝基六氮杂异纤锌矿型结构烷烃(CL-20)的两个二元共晶体:一种是通过R_2〜2(6)氢键连接的CL-20分子链,另一种是通过R_2〜1(5)氢键通过CL-20和共形成分子(1或2)分子交替连接。所有链延伸到整个共晶体CL-20 / 1和CL-20 / 2,并带有CL-20分子的交叉点。与观察到的CL-20多晶型物和共晶体中不明显的分子间相互作用相反,CL-20 / 1和CL-20 / 2中的这两种链是显而易见的,并且可以使用超分子合成子的定义轻松理解。此外,还报道了这两种高能共晶体的热行为,冲击敏感性和爆轰性能。

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