Syntheses, structures, properties, and calculation of a family of ionic crystals based on 1,3‐bis(5‐tetrazolyl)triazene

Bin Liu, Liang He, Zi-chen Shi, Wen-hui Huang, Qi Xue, Jian-hui Yang
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Abstract

Sodium salt of 1,3‐bis(5‐tetrazolyl)triazene (NaH2BTT‧4H2O) was obtained through diazo‐couple reaction with 5‐aminotetrazole as starting reactants, and a family of energetic ionic crystals of the 1,3‐bis(5‐tetrazolyl)triazene anions HnBTT(3‐n)‐ with different cations were investigated, including protonated amines (ethanediamine, hydrazinium, aminoguanidine, methylhydrazinium) and Y(H2O)83+. The structures and physicochemical properties of these compounds were characterized by IR, Raman, X‐ray diffraction (XRPD) and TG‐DSC. Ethanediamine salt is the best thermal stable, while hydrazinium salt possess a highest nitrogen rich value of 79.76%. Both of them show a rapid collapse of the BTT main frame, and almost all of the dissociation products are released in the form of gas.
基于 1,3-双(5-四唑基)三氮烯的离子晶体家族的合成、结构、特性和计算
以 5-aminotetrazole 为起始反应物,通过重氮偶联反应获得了 1,3-双(5-四唑基)三氮烯钠盐 (NaH2BTT‧4H2O)、研究了 1,3-双(5-四唑基)三氮烯阴离子 HnBTT(3-n)- 与不同阳离子(包括质子胺(乙二胺、肼、氨基胍、甲基肼)和 Y(H2O)83+)的一系列高能离子晶体。这些化合物的结构和理化性质通过红外光谱、拉曼光谱、X 射线衍射(XRPD)和 TG-DSC 进行了表征。乙二胺盐的热稳定性最好,而肼盐的富氮值最高,达到 79.76%。它们都显示出 BTT 主框架的快速坍塌,几乎所有解离产物都以气体形式释放出来。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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