一种稳定多基替代能量化合物,通过在1,2,3-2H-triazole/1,2,4-triazole框架中的增强结合来实现
1School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094, China.
The Journal of organic chemistry
|December 23, 2025
概括
研究人员使用三环三醇系统开发了一种新的中性能量化合物. 这种化合物具有高密度,优异的引爆性能和低灵敏度,性能优于HMX.
科学领域:
- 能量材料科学 能量材料科学
- 有机化学 有机化学
- 材料科学 材料科学 材料科学
背景情况:
- 1,2,3-二醇框架是开发高能量密度材料 (HEDM) 的关键组成部分.
- 这些材料具有高含量和可调节的能量特性,使它们对先进应用具有吸引力.
研究的目的:
- 合成和表征一种基于三环三醇系统的新型中性能量化合物.
- 为了评估化合物的密度,引爆性能和灵敏度.
主要方法:
- 目标化合物的合成:4,5-bis(5-(trinitromethyl) -4H-1,2,4-triazol-3-yl) -2H-1,2,3-triazole.
- 化合物的结构和性质的表征.
- 测量密度,氧气平衡,爆炸速度,爆炸压力和冲击灵敏度.
主要成果:
- 合成的化合物具有两个由三环 (1,2,4-/1,2,3-/1,2,4-triazole) 系统桥接的三甲基组.
- 该分子具有高密度 (1.86 g cm−3),正氧平衡 (+7.9%) 和出色的爆炸性能 (D = 9149 m/s,P = 37.5 GPa).
- 该化合物表现出低冲击灵敏度 (10 J),超过了基准爆炸物HMX.
结论:
- 新型三环三醇化合物是一种有前途的能量材料.
- 它的高能量输出和低灵敏度的结合使其成为现有爆炸物 (如HMX) 的优质替代品.
更多相关视频
相关概念视频
Aromatic Hydrocarbon Cations: Structural Overview
3.6K
Cycloheptatriene is a neutral monocyclic unsaturated hydrocarbon that consists of an odd number of carbon atoms and an intervening sp3 carbon in the ring. The three double bonds in the ring correspond to 6 π electrons, which is a Huckel number, and therefore satisfies the criteria of 4n + 2 π electrons. However, the intervening sp3 carbon disrupts the continuous overlap of p orbitals. As a result, cycloheptatriene is not aromatic.
Removing one hydrogen from the intervening CH2 group...
Removing one hydrogen from the intervening CH2 group...
3.6K
Stability of Conjugated Dienes
4.1K
Introduction
A comparison of the enthalpies of hydrogenation of dienes reveals that conjugated dienes release less heat on hydrogenation, rendering them more stable than their nonconjugated analogs.
A comparison of the enthalpies of hydrogenation of dienes reveals that conjugated dienes release less heat on hydrogenation, rendering them more stable than their nonconjugated analogs.
4.1K
Stability of Substituted Cyclohexanes
14.6K
This lesson discusses the stability of substituted cyclohexanes with a focus on energies of various conformers and the effect of 1,3-diaxial interactions.
The two chair conformations of cyclohexanes undergo rapid interconversion at room temperature. Both forms have identical energies and stabilities, each comprising equal amounts of the equilibrium mixture. Replacing a hydrogen atom with a functional group makes the two conformations energetically non-equivalent.
For example, in...
The two chair conformations of cyclohexanes undergo rapid interconversion at room temperature. Both forms have identical energies and stabilities, each comprising equal amounts of the equilibrium mixture. Replacing a hydrogen atom with a functional group makes the two conformations energetically non-equivalent.
For example, in...
14.6K
Diazonium Group Substitution: –OH and –H
3.2K
Nitrous acid, a weak acid, is prepared in situ via the reaction of sodium nitrite with a strong acid under cold conditions. This nitrous acid prepared in situ reacts with primary arylamines to form arenediazonium salts. Such reactions are known as diazotization reactions. As shown in Figure 1, the formation of arenediazonium salts begins with the decomposition of nitrous acid in an acidic solution to give nitrosonium ions.
3.2K
Structures of Carboxylic Acid Derivatives
3.7K
Structure of Carboxylic Acid Derivatives
Carboxylic acid derivatives contain an acyl group attached to a heteroatom such as chlorine, oxygen, or nitrogen. The carbonyl carbon and oxygen are both sp2-hybridized with an unhybridized p orbital.
The three sp2 orbitals of the carbonyl carbon form three σ bonds, one each with the carbonyl oxygen, the α carbon, and the heteroatom, whereas the other two sp2 orbitals of the carbonyl oxygen are occupied by the lone pairs. Further, the unhybridized p...
Carboxylic acid derivatives contain an acyl group attached to a heteroatom such as chlorine, oxygen, or nitrogen. The carbonyl carbon and oxygen are both sp2-hybridized with an unhybridized p orbital.
The three sp2 orbitals of the carbonyl carbon form three σ bonds, one each with the carbonyl oxygen, the α carbon, and the heteroatom, whereas the other two sp2 orbitals of the carbonyl oxygen are occupied by the lone pairs. Further, the unhybridized p...
3.7K
ortho–para-Directing Activators: –CH3, –OH, –⁠NH2, –OCH3
7.2K
All ortho–para directors, excluding halogens, are activating groups. These groups donate electrons to the ring, making the ring carbons electron-rich. Consequently, the reactivity of the aromatic ring towards electrophilic substitution increases. For instance, the nitration of anisole is about 10,000 times faster than the nitration of benzene. The electron-donating effect of the methoxy group in anisole activates the ortho and para positions on the ring and stabilizes the corresponding...
7.2K


