{"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}
引用次数: 0
Abstract
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.