期刊
JOURNAL OF MATERIALS CHEMISTRY A
卷 6, 期 5, 页码 2239-2248出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c7ta08941d
关键词
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资金
- National Natural Science Foundation of China [21376121, 21676147]
- Natural Science Foundation of Jiangsu Province [BK20151483]
- Priority Academic Program Development of Jiangsu Higher Education Institutions (PAPD)
- Science Challenge Project, Postgraduate Research & Practice Innovation Program of Jiangsu Province [TZ2018004]
The synthesis of four neutral 4-nitro-5-(1,2,4-triazol-3-yl)-2H-1,2,3-triazole compounds in combination with different energetic moieties like amino, nitrimino, nitro, and azo groups is presented. Furthermore, a novel family of energetic salts based on the 4-nitro-5-(5-R-1,2,4-triazol-3-yl)-2H-1,2,3-triazole (2:R = nitrimino; 3:R = nitro) monoanion and dianion were controllably synthesized. All new compounds were fully characterized by IR and multinuclear NMR spectroscopy, elemental analysis and DSC measurements. The molecular structures of 2, 3, 8 and 17 were determined by single-crystal X-ray diffraction. In addition, the heats of formation and detonation performance of all the energetic compounds were calculated using Gaussian 09 and EXPLO5 v6.01 programs, respectively. Both experimental and theoretical evaluations show promising properties for these energetic compounds, such as high density, positive heats of formation, high thermal stabilities, good sensitivities and excellent detonation performances. Among them, 6, 7, 14 to 16, 24 and 25 exhibit favorable overall properties as energetic materials.
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