Nitrogen-rich metal-free salts: a new look at the 5-(trinitromethyl)tetrazolate anion as an energetic moiety,Dalton Transactions

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Nitrogen-rich metal-free salts: a new look at the 5-(trinitromethyl)tetrazolate anion as an energetic moiety
Dalton Transactions ( IF 3.5 ) Pub Date : 2021-09-06 , DOI: 10.1039/d1dt02688g
Daniil A Chaplygin ₁ , Alexander A Larin ₁ , Nikita V Muravyev ₂ , Dmitry B Meerov ₂ , Ekaterina K Kosareva ₂ , Vitaly G Kiselev _{2,

3,

4} , Alla N Pivkina ₂ , Ivan V Ananyev ₅ , Leonid L Fershtat ₁

Affiliation

A series of energetic nitrogen-rich salts comprised of a 5-(trinitromethyl)tetrazolate anion and high-nitrogen cations was synthesized by simple and efficient chemical routes from readily available commercial reagents. These energetic materials were fully characterized by IR and multinuclear NMR (¹H, ¹³C, ¹⁴N) spectroscopy, elemental analysis, and differential scanning calorimetry (DSC). Additionally, the structure of an energetic salt containing the 3,6,7-triamino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazolium cation was confirmed by single-crystal X-ray diffraction. The synthesized compounds exhibit decent experimental densities (1.648–1.845 g cm⁻³) and positive enthalpies of formation (up to 725.5 kJ mol⁻¹) and, as a result, superior detonation performance (detonation velocities 8.2–9.2 km s⁻¹ and detonation pressures 28.5–37.8 GPa), which is comparable to or even exceeding those of commonly used booster explosive PETN. On the other hand, high mechanical sensitivity of several novel 5-(trinitromethyl)tetrazolate salts along with their high combined nitrogen-oxygen content (>81%) and excellent detonation performance render them environmentally friendly alternatives to lead-based primary explosives.

中文翻译：

富氮无金属盐：5-（三硝基甲基）四唑阴离子作为高能部分的新视角

一系列由 5-（三硝基甲基）四氮唑阴离子和高氮阳离子组成的高能富氮盐是通过简单有效的化学途径从现成的商业试剂中合成的。这些含能材料通过 IR 和多核 NMR（¹ H、¹³ C、¹⁴ N）光谱、元素分析和差示扫描量热法 (DSC)进行了充分表征。此外，含有 3,6,7-triamino-7 H -[1,2,4]triazolo[4,3- b ][1,2,4]triazolium 阳离子的高能盐的结构通过单-晶体 X 射线衍射。合成的化合物表现出不错的实验密度（1.648-1.845 g cm ^-3) 和正形成焓（高达 725.5 kJ mol ^-1），因此具有优越的爆轰性能（爆速 8.2-9.2 km s ^-1和爆轰压力 28.5-37.8 GPa），可与甚至超过那些常用的助炸药PETN。另一方面，几种新型 5-(三硝基甲基)四唑盐的高机械敏感性以及它们的高氮氧结合含量 (>81%) 和出色的爆轰性能使其成为铅基起爆药的环保替代品。

更新日期：2021-09-10

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