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首页> 外文期刊>RSC Advances >Crystal structure evolution of an energetic compound dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate induced by solvents
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Crystal structure evolution of an energetic compound dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate induced by solvents

机译：溶剂诱导的溶剂诱导的能量化合物二羟基铵5,5'-双四唑-1,1'-二氢醇的晶体结构演变

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摘要

Recently, energetic ionic salts have become a research hotspot due to their attractive properties, such as high density, high heat of formation, and environmental friendliness. Dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate ( TKX-50 ) is a typical nitrogen-rich energetic ionic salt, which has broad application prospects. However, the research on the stability and crystal structure evolution of TKX-50 in different solvent systems is insufficient. Herein, we investigated the crystal structure transformations and searched for new solid forms of TKX-50 under different conditions via a solvent induction method. The phase composition of all screened samples was analyzed by powder or single-crystal X-ray diffraction. Three new solid forms of [NH _(2) (CH _(3) ) _(2) ~(+) ][BTO ~(?) ], [NH _(2) (CH _(3) CH _(2) ) _(2) ~(+) ] _(2) [BTO ~(2?) ], [NHOH(CH _(3) CCH _(3) ) ~(+) ][BTO ~(?) ] H _(2) O were obtained from DMAC, DEF and AC/MT, respectively. Furthermore, the energetic properties were evaluated through EXPLO5.
机译：最近，由于其有吸引力的性质，例如高密度，形成高，形成和环境友好，所以活性离子盐已成为研究热点。二羟基铵5,5'-双级四唑-1,1'-二氢醇（TKX-50）是一种典型的富含氮的能量离子盐，具有广泛的应用前景。然而，不同溶剂系统中TKX-50的稳定性和晶体结构演化的研究不足。在此，我们研究了晶体结构转化，并通过溶剂诱导方法在不同的条件下搜索了TKX-50的新固体形式。通过粉末或单晶X射线衍射分析所有筛选样品的相组合物。三种新的实体形式的[NH _（2）（CH _（3））_（2）〜（+）] [BTO〜（？）]，[NH _（2）（CH_（3）CH_（ 2））_（2）〜（+）] _（2）[BTO〜（3）CCH _（3））〜（+）] [BTO〜（？） ] H _（2）o分别从DMAC，DEF和AC / MT获得。此外，通过Explo5评估能量性质。

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