Lu Li , Si-tong Chen , Si-wei Song , Qing-hua Zhang
{"title":"基于两种新型四唑配体的热稳定不敏感的含能金属有机骨架","authors":"Lu Li , Si-tong Chen , Si-wei Song , Qing-hua Zhang","doi":"10.1016/j.enmf.2023.05.001","DOIUrl":null,"url":null,"abstract":"<div><p>Two new tetrazole ligands were designed and synthesized using simple methods in this study, namely 1<em>H</em>-tetrazole-5-carbohydrazide (HCHT, <strong>1</strong>) and 2-amino-5-(1H-tetrazol-5-yl)-1,3,4-oxadiazole (HAOT, <strong>2</strong>). Their solvent-free potassium salts [K(CHT)]<sub><em>n</em></sub> (<strong>3</strong>) and [K(AOT)]<sub><em>n</em></sub> (<strong>4</strong>) are new two-dimensional energetic metal-organic frameworks (EMOFs), and their structures were characterized using nuclear magnetic resonance (NMR), infrared spectroscopy (IR), mass spectrometry (MS), elemental analysis (EA), and single-crystal X-ray diffraction (SXRD). Both compounds <strong>3</strong> and <strong>4</strong> exhibit high decomposition temperatures (<em>T</em><sub>d</sub>) of 314 °C and 310 °C, respectively and are highly insensitive to impact and friction stimuli (<em>IS</em> > 40 J, <em>FS</em> > 360 N). The detonation velocity and pressure of <strong>3</strong> were calculated at 9141 m s<sup>−1</sup> and 29.0 GPa, respectively, and those of <strong>4</strong> were determined at 8423 m s<sup>−1</sup> and 24.5 GPa, respectively. Furthermore, intermolecular interactions in <strong>3</strong> and <strong>4</strong> were analyzed using 2D fingerprint plots with associated Hirshfeld surfaces. In this manner, two thermally stable and insensitive EMOFs were developed based on two new tetrazole ligands.</p></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":null,"pages":null},"PeriodicalIF":3.3000,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"Thermally stable and insensitive energetic metal-organic frameworks based on two new tetrazole ligands\",\"authors\":\"Lu Li , Si-tong Chen , Si-wei Song , Qing-hua Zhang\",\"doi\":\"10.1016/j.enmf.2023.05.001\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Two new tetrazole ligands were designed and synthesized using simple methods in this study, namely 1<em>H</em>-tetrazole-5-carbohydrazide (HCHT, <strong>1</strong>) and 2-amino-5-(1H-tetrazol-5-yl)-1,3,4-oxadiazole (HAOT, <strong>2</strong>). Their solvent-free potassium salts [K(CHT)]<sub><em>n</em></sub> (<strong>3</strong>) and [K(AOT)]<sub><em>n</em></sub> (<strong>4</strong>) are new two-dimensional energetic metal-organic frameworks (EMOFs), and their structures were characterized using nuclear magnetic resonance (NMR), infrared spectroscopy (IR), mass spectrometry (MS), elemental analysis (EA), and single-crystal X-ray diffraction (SXRD). Both compounds <strong>3</strong> and <strong>4</strong> exhibit high decomposition temperatures (<em>T</em><sub>d</sub>) of 314 °C and 310 °C, respectively and are highly insensitive to impact and friction stimuli (<em>IS</em> > 40 J, <em>FS</em> > 360 N). The detonation velocity and pressure of <strong>3</strong> were calculated at 9141 m s<sup>−1</sup> and 29.0 GPa, respectively, and those of <strong>4</strong> were determined at 8423 m s<sup>−1</sup> and 24.5 GPa, respectively. Furthermore, intermolecular interactions in <strong>3</strong> and <strong>4</strong> were analyzed using 2D fingerprint plots with associated Hirshfeld surfaces. In this manner, two thermally stable and insensitive EMOFs were developed based on two new tetrazole ligands.</p></div>\",\"PeriodicalId\":34595,\"journal\":{\"name\":\"Energetic Materials Frontiers\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":3.3000,\"publicationDate\":\"2023-06-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Energetic Materials Frontiers\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2666647223000180\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Energetic Materials Frontiers","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2666647223000180","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Thermally stable and insensitive energetic metal-organic frameworks based on two new tetrazole ligands
Two new tetrazole ligands were designed and synthesized using simple methods in this study, namely 1H-tetrazole-5-carbohydrazide (HCHT, 1) and 2-amino-5-(1H-tetrazol-5-yl)-1,3,4-oxadiazole (HAOT, 2). Their solvent-free potassium salts [K(CHT)]n (3) and [K(AOT)]n (4) are new two-dimensional energetic metal-organic frameworks (EMOFs), and their structures were characterized using nuclear magnetic resonance (NMR), infrared spectroscopy (IR), mass spectrometry (MS), elemental analysis (EA), and single-crystal X-ray diffraction (SXRD). Both compounds 3 and 4 exhibit high decomposition temperatures (Td) of 314 °C and 310 °C, respectively and are highly insensitive to impact and friction stimuli (IS > 40 J, FS > 360 N). The detonation velocity and pressure of 3 were calculated at 9141 m s−1 and 29.0 GPa, respectively, and those of 4 were determined at 8423 m s−1 and 24.5 GPa, respectively. Furthermore, intermolecular interactions in 3 and 4 were analyzed using 2D fingerprint plots with associated Hirshfeld surfaces. In this manner, two thermally stable and insensitive EMOFs were developed based on two new tetrazole ligands.
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