能量多功能的尼特拉米诺皮拉及其离子衍生物:三元键诱导的高能量密度材料
Ping Yin1, Damon A Parrish2, Jean'ne M Shreeve1
1†Department of Chemistry, University of Idaho, Moscow, Idaho 83844-2343, United States.
Journal of the American Chemical Society
|March 26, 2015
概括
新的基于pyrazole的能量材料,包括尼特拉胺离子衍生物,显示出高密度和出色的性能. 这些化合物在先进的能量材料应用中表现出有前途的特性.
科学领域:
- 材料科学 材料科学 材料科学
- 化学 化学 化学
背景情况:
- 皮拉框架是设计新材料的多功能支架.
- 高能量密度材料 (HEDM) 对各种应用至关重要,要求提高性能和稳定性.
研究的目的:
- 根据Pyrazole框架合成和描述一种新的三元键诱导高能量密度材料家族.
- 研究这些新型化合物的能量性能,分子稳定性和安全特性.
主要方法:
- 使用高斯03计算形成热量的计算.
- 使用EXPLO5 v6.01.01进行能量属性计算.
- 测量物理性质,如密度和灵敏度.
主要成果:
- 成功合成了一系列基于尼特拉胺的皮拉离子衍生物.
- 化合物4 (5-尼特拉米诺-3,4-丁特罗皮拉) 的测量密度显著,为1.97 g cm−3.4 g.
- 几种离子衍生物表现出高密度 (1.83-1.97 g cm−3),良好的爆炸参数 (P: 35.6-41.6 GPa,vD: 8880-9430 m s−1) 和可接受的灵敏度 (IS: 4-30 J,FS: 40-240 N).
结论:
- 开发的基于Pyrazole的化合物代表了一个有前途的新类高能量密度材料.
- 尼特拉米诺联相互作用在设计具有优越性质的先进能量材料方面是有效的.
- 这些材料对未来需要高性能和稳定性的应用具有重大潜力.
相关概念视频
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The nitrous acid is unstable. Hence, it is formed in situ from a solution of sodium nitrite and cold aqueous acids such as hydrochloric or sulfuric acid. In an acidic solution, the –OH group of nitrous acid undergoes protonation to give oxonium ion, followed by...
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