Regulation of stability and density of energetic materials isomerism

Selective regulation of stability and density via isomerism is a promising strategy for developing energetic materials. In this work, we selectively introduced dinitromethyl groups at different positions of 4-nitro-1,2,3-triazole. The regional heterogeneity endows a high crystal density by virtue of...

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Veröffentlicht in:Physical chemistry chemical physics : PCCP 2023-08, Vol.25 (3), p.2168-2172
Hauptverfasser: Zhang, Wenjin, Yang, Yiling, Shi, Shaoyi, Pang, Siping, Li, Yuchuan, Sun, Chenghui
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container_issue 3
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container_title Physical chemistry chemical physics : PCCP
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creator Zhang, Wenjin
Yang, Yiling
Shi, Shaoyi
Pang, Siping
Li, Yuchuan
Sun, Chenghui
description Selective regulation of stability and density via isomerism is a promising strategy for developing energetic materials. In this work, we selectively introduced dinitromethyl groups at different positions of 4-nitro-1,2,3-triazole. The regional heterogeneity endows a high crystal density by virtue of the dense packing; on the other hand, it changes the charge distribution in the molecule, and reinforces the hydrogen bonding interactions, all of which stabilize the material. The resulting compounds exhibit excellent detonation properties and impact sensitivity that are comparable to those of HMX ( D v = 9250 m s −1 and IS = 10 J). We have achieved selective regulation of the stability and density of 4-nitro-1,2,3-triazole. The resulting compounds exhibit excellent detonation properties and impact sensitivity that are comparable to those of HMX .
doi_str_mv 10.1039/d3cp02039h
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title Regulation of stability and density of energetic materials isomerism
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