Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate anions,CrystEngComm

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Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate anions
CrystEngComm ( IF 2.6 ) Pub Date : 2020-06-15 , DOI: 10.1039/d0ce00772b
Ramling S. Mathpati _{1,

2,

3,

4} , Srinivas Dharavath _{1,

4,

5,

6} , Nikhil Kumar _{1,

2,

3,

4} , Vikas D. Ghule _{1,

2,

3,

4} , Avijit Kumar Paul _{1,

2,

3,

4} , Ram Kumar Tittal _{1,

2,

3,

4}

Affiliation

Eight new energetic salts combining N-bases (amines) with picrate ions were synthesized in high yields and characterized by NMR (¹H and ¹³C), IR spectroscopy, elemental analysis, and differential thermal analysis. Single-crystal structural studies were performed to confirm the structures, packing, and various interactions in the salts. Interestingly, salts 1 and 7 exist in different polymorphic forms and the effect of solvent on polymorphism was examined (i.e. solvatomorphism). Thermal stability and impact and friction sensitivities were also determined to understand the relationship between their structures and properties. Salt 3 with hydrazinium cations showed higher performance (d = 1.82 g cm⁻³; T_d = 255.2 °C; D = 7.95 km s⁻¹; P = 28.2 GPa; IS ≥ 30 J; FS ≥ 350 N) towards energetic applications. However, salts 4, 7, and 8 also exhibit good performance parameters, which are marginally better as compared to TNT. The tuning of the physiochemical properties and performances was carried out with the modification of the cationic-amine molecules and the molar ratio of the reactants.

中文翻译：

通过改变胺类和苦味酸根阴离子的浓度来设计，合成和研究一系列高能盐

高产率地合成了八种新的高能盐，它们结合了N碱（胺）和苦味离子，并通过NMR（¹ H和¹³ C），IR光谱，元素分析和差热分析进行了表征。进行了单晶结构研究，以确认盐中的结构，堆积和各种相互作用。有趣的是，盐1和7以不同的多晶型形式存在，并检查了溶剂对多晶型的影响（即溶剂多晶型）。还确定了热稳定性以及冲击和摩擦敏感性，以了解其结构与性能之间的关系。具有肼阳离子的盐3显示出更高的性能（d = 1.82 g cm ^-3；T _d＝ 255.2℃。D = 7.95 km s ^-1 ; P = 28.2 GPa；IS≥30 J；FS≥350 N）应用于高能应用。然而，盐4，7，和8也显示出良好的性能的参数，是略好相比于TNT。通过修饰阳离子胺分子和反应物的摩尔比来进行理化性质和性能的调节。

更新日期：2020-07-27

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