Iodine-Mediated Furoxan Formation Facilitates the Synthesis of High-Density Tricyclic Fused Energetic Materials,Crystal Growth & Design

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Iodine-Mediated Furoxan Formation Facilitates the Synthesis of High-Density Tricyclic Fused Energetic Materials
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2022-11-29 , DOI: 10.1021/acs.cgd.2c01170
Lei Yang ₁ , Zhen-Qi Zhang ₁ , Wei Yang ₁ , Qing Ma ₁ , Wei Li ₂ , Jinshan Li ₁

Affiliation

Fused cyclic energetic material, a special category of π-conjugate structures containing two or more rings, has been acknowledged as a potential energy source of high energy density in recent years. In the present work, a new tricyclic, fused energetic skeleton [1,2,5]oxadiazolo[3,4-d][1,2,4]triazolo[4,3-b]pyridazine-3-oxide was designed and synthesized. Two typical compounds, 4-azido-[1,2,5]oxadiazolo[3,4-d][1,2,4]triazolo[4,3-b]pyridazine-3-oxide and 4-amino-[1,2,5]oxadiazolo[3,4-d][1,2,4]triazolo[4,3-b]pyridazine-3-oxide, were synthesized and characterized by single-crystal X-ray diffraction, elemental analysis, NMR, and IR spectroscopy. Both energetic compounds exhibit densities of 1.773 and 1.939 g·cm^–3 for 2 and 3, respectively. The energetic properties were calculated based on the density and the heat of formation. They possess a good detonation performance (D_v: 8664 m·s^–1 for 2, 8817 m·s^–1 for 3; P: 30.9 GPa for 2, 32 GPa for 3). Their impact and friction sensitivities were tested to be 7 J and 108 N for 2 and >40 J and 128 N for 3. The two energetic compounds also show satisfactory onset decomposition temperatures (2:183.7 °C; 3:195.3 °C) owing to fused furoxan frameworks. All these properties indicate that the above-mentioned new molecules may show their prospective application as versatile energetic materials and devices.

中文翻译：

碘介导的呋喃生成促进高密度三环稠聚含能材料的合成

稠环含能材料是一类特殊的含有两个或多个环的π共轭结构，近年来被认为是一种潜在的高能量密度能源。在目前的工作中，设计了一种新的三环稠合高能骨架[1,2,5]恶二唑并[3,4- d ][1,2,4]三唑并[4,3 - b ]哒嗪-3-氧化物，并合成的。两种典型化合物，4-叠氮基-[1,2,5]恶二唑并[3,4- d ][1,2,4]三唑并[4,3 - b ]哒嗪-3-氧化物和4-氨基-[1 ,2,5]恶二唑并[3,4- d ][1,2,4]三唑并[4,3- b] pyridazine-3-oxide，被合成并通过单晶 X 射线衍射、元素分析、NMR 和红外光谱进行表征。两种高能化合物的2和3密度分别为 1.773 和 1.939 g·cm ^–3。能量特性是根据密度和形成热计算的。它们具有良好的爆轰性能（D _v : 8664 m·s ^–1 for 2 , 8817 m·s ^–1 for 3 ; P : 30.9 GPa for 2 , 32 GPa for 3）。他们的冲击和摩擦敏感性经测试为 7 J 和 108 N，持续2和 >40 J 和 128 N 为3。由于融合的呋喃骨架，这两种高能化合物还显示出令人满意的起始分解温度（2 :183.7 °C；3 :195.3 °C）。所有这些特性表明，上述新分子可能显示出它们作为多功能含能材料和器件的潜在应用。

更新日期：2022-11-29

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