Energetic Salts Based on an Oxygen-Containing Cation: 2,4-Diamino-1,3,5-triazine-6-one

被引:31
|
作者
Liu, Wei [2 ]
Lin, Qiu-Han [1 ]
Yang, Yu-Zhang [1 ]
Zhang, Xue-Jiao [1 ]
Li, Yu-Chuan [1 ]
Lin, Zhi-Hui [3 ]
Pang, Si-Ping [1 ]
机构
[1] Beijing Inst Technol, Sch Mat Sci & Engn, Beijing 100081, Peoples R China
[2] Beijing Inst Technol, Sch Life Sci, Beijing 100081, Peoples R China
[3] China North Ind Grp Corp, Beijing 100089, Peoples R China
关键词
density functional theory; energetic salts; oxygen heterocycles; salt effect; thermochemistry; ACCURATE THERMOCHEMICAL PROPERTIES; NITROGEN-RICH; ELECTRONIC-STRUCTURE; CONDENSATION; FAMILY; HEATS; RING;
D O I
10.1002/asia.201301280
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
A family of energetic salts with high thermal stability and low impact sensitivity based on an oxygen-containing cation, 2,4-diamino-1,3,5-triazine-6-one, were synthesized and fully characterized by IR and multinuclear (H-1, C-13) NMR spectroscopy, elemental analysis, and differential scanning calorimetry. Insights into their sensitivities towards impact, friction, and electrostatics were gained by submitting the materials to standard tests. The structures of 2,4-diamino-1,3,5-triazine-6-one nitrate, 2,4-diamino-1,3,5-triazine-6-one sulfate, 2,4-diamino-1,3,5-triazine-6-one perchlorate, 2,4-diamino-1,3,5-triazine-6-one 5-nitrotetrazolate were determined by single-crystal X-ray diffraction; their densities are 1.691, 1.776, 1.854, and 1.636gcm(-3), respectively. Most of the salts decompose at temperatures over 180 degrees C; in particular, the salts 2,4-diamino-1,3,5-triazine-6-one nitrate and 2,4-diamino-1,3,5-triazine-6-one perchlorate, which decompose at 303.3 and 336.4 degrees C, respectively, are fairly stable. Furthermore, most of the salts exhibit excellent impact sensitivities (>40J), friction sensitivities (>360N), and are insensitive to electrostatics. The measured densities of these energetic salts range from 1.64 to 2.01gcm(-3). The detonation pressure values calculated for these salts range from 14.6 to 29.2GPa, and the detonation velocities range from 6536 to 8275ms(-1); these values make the salts potential candidates for thermally stable and insensitive energetic materials.
引用
收藏
页码:479 / 486
页数:8
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