{"title":"构建 C-NO2 吡唑-双四唑框架高能材料:实现引爆性能与灵敏度之间的平衡","authors":"Jing Liu, Yaqun Dong, Miao Li, Yuji Liu, Wei Huang and Yongxing Tang*, ","doi":"10.1021/acs.cgd.4c00603","DOIUrl":null,"url":null,"abstract":"<p >Balancing detonation performance and sensitivity has always been a challenge in the field of energetic materials. Herein, we present the synthesis of 2-(1<i>H</i>-pyrazol-3-yl)-2<i>H</i>,2′<i>H</i>-5,5′-bistetrazole (<b>4</b>) followed by the introduction of <i>C</i>-NO<sub>2</sub>, resulting in the formation of 2-(4-nitro-1<i>H</i>-pyrazol-3-yl)-2<i>H</i>,2′<i>H</i>-5,5′-bistetrazole (<b>5</b>) characterized by low sensitivity, high energy content, and good thermal stability. Characterization of these compounds was conducted via NMR and IR spectroscopy, with the structures of compounds <b>4a</b>, <b>5</b>, and <b>5a</b> elucidated through single-crystal X-ray diffraction. The energetic properties of these compounds were studied, and all new compounds had detonation velocities (7384–9111 m s<sup>–1</sup>) higher than trinitrotoluene (TNT). Particularly noteworthy is compound <b>5b</b> (<i>D</i><sub>v</sub> = 9111 m s<sup>–1</sup>, impact sensitivity (IS) = 13 J, friction sensitivity (FS) = 144 N), which exhibits superior detonation velocity and reduced sensitivity compared to Research Department eXplosive (RDX), presenting a promising avenue for the development of novel energetic materials.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.2000,"publicationDate":"2024-06-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Constructing C-NO2 Pyrazole–Bistetrazole Framework Energetic Materials: Achieve a Balance between Detonation Performance and Sensitivity\",\"authors\":\"Jing Liu, Yaqun Dong, Miao Li, Yuji Liu, Wei Huang and Yongxing Tang*, \",\"doi\":\"10.1021/acs.cgd.4c00603\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >Balancing detonation performance and sensitivity has always been a challenge in the field of energetic materials. Herein, we present the synthesis of 2-(1<i>H</i>-pyrazol-3-yl)-2<i>H</i>,2′<i>H</i>-5,5′-bistetrazole (<b>4</b>) followed by the introduction of <i>C</i>-NO<sub>2</sub>, resulting in the formation of 2-(4-nitro-1<i>H</i>-pyrazol-3-yl)-2<i>H</i>,2′<i>H</i>-5,5′-bistetrazole (<b>5</b>) characterized by low sensitivity, high energy content, and good thermal stability. Characterization of these compounds was conducted via NMR and IR spectroscopy, with the structures of compounds <b>4a</b>, <b>5</b>, and <b>5a</b> elucidated through single-crystal X-ray diffraction. The energetic properties of these compounds were studied, and all new compounds had detonation velocities (7384–9111 m s<sup>–1</sup>) higher than trinitrotoluene (TNT). Particularly noteworthy is compound <b>5b</b> (<i>D</i><sub>v</sub> = 9111 m s<sup>–1</sup>, impact sensitivity (IS) = 13 J, friction sensitivity (FS) = 144 N), which exhibits superior detonation velocity and reduced sensitivity compared to Research Department eXplosive (RDX), presenting a promising avenue for the development of novel energetic materials.</p>\",\"PeriodicalId\":34,\"journal\":{\"name\":\"Crystal Growth & Design\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":3.2000,\"publicationDate\":\"2024-06-20\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Crystal Growth & Design\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acs.cgd.4c00603\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Crystal Growth & Design","FirstCategoryId":"92","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.cgd.4c00603","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
摘要
平衡引爆性能和灵敏度一直是高能材料领域的一项挑战。在本文中,我们合成了 2-(1H-吡唑-3-基)-2H,2′H-5,5′-双四唑(4),然后引入 C-NO2,生成了 2-(4-硝基-1H-吡唑-3-基)-2H,2′H-5,5′-双四唑(5),其特点是灵敏度低、能量含量高、热稳定性好。通过核磁共振和红外光谱对这些化合物进行了表征,并通过单晶 X 射线衍射阐明了化合物 4a、5 和 5a 的结构。对这些化合物的能量特性进行了研究,所有新化合物的引爆速度(7384-9111 m s-1)均高于三硝基甲苯(TNT)。尤其值得注意的是化合物 5b(Dv = 9111 m s-1,冲击灵敏度 (IS) = 13 J,摩擦灵敏度 (FS) = 144 N),与研究部门的易爆剂(RDX)相比,它的引爆速度更快,灵敏度更低,为新型高能材料的开发提供了一条前景广阔的途径。
Constructing C-NO2 Pyrazole–Bistetrazole Framework Energetic Materials: Achieve a Balance between Detonation Performance and Sensitivity
Balancing detonation performance and sensitivity has always been a challenge in the field of energetic materials. Herein, we present the synthesis of 2-(1H-pyrazol-3-yl)-2H,2′H-5,5′-bistetrazole (4) followed by the introduction of C-NO2, resulting in the formation of 2-(4-nitro-1H-pyrazol-3-yl)-2H,2′H-5,5′-bistetrazole (5) characterized by low sensitivity, high energy content, and good thermal stability. Characterization of these compounds was conducted via NMR and IR spectroscopy, with the structures of compounds 4a, 5, and 5a elucidated through single-crystal X-ray diffraction. The energetic properties of these compounds were studied, and all new compounds had detonation velocities (7384–9111 m s–1) higher than trinitrotoluene (TNT). Particularly noteworthy is compound 5b (Dv = 9111 m s–1, impact sensitivity (IS) = 13 J, friction sensitivity (FS) = 144 N), which exhibits superior detonation velocity and reduced sensitivity compared to Research Department eXplosive (RDX), presenting a promising avenue for the development of novel energetic materials.
期刊介绍:
The aim of Crystal Growth & Design is to stimulate crossfertilization of knowledge among scientists and engineers working in the fields of crystal growth, crystal engineering, and the industrial application of crystalline materials.
Crystal Growth & Design publishes theoretical and experimental studies of the physical, chemical, and biological phenomena and processes related to the design, growth, and application of crystalline materials. Synergistic approaches originating from different disciplines and technologies and integrating the fields of crystal growth, crystal engineering, intermolecular interactions, and industrial application are encouraged.