Regulation of stability and density of energetic materials via isomerism

Wenjin Zhang; Yiling Yang; Shaoyi Shi; Siping Pang; Yuchuan Li; Chenghui Sun

doi:10.1039/d3cp02039h

Regulation of stability and density of energetic materials via isomerism

Wenjin Zhang, Yiling Yang, Shaoyi Shi, Siping Pang, Yuchuan Li^*, Chenghui Sun^*

^*Corresponding author for this work

School of Material Science and Engineering

Beijing Institute of Technology

Research output: Contribution to journal › Article › peer-review

4 Citations (Scopus)

Abstract

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).

Original language	English
Pages (from-to)	20168-20172
Number of pages	5
Journal	Physical Chemistry Chemical Physics
Volume	25
Issue number	30
DOIs	https://doi.org/10.1039/d3cp02039h
Publication status	Published - 8 Jul 2023

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title = "Regulation of stability and density of energetic materials via isomerism",

abstract = "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 (Dv = 9250 m s−1 and IS = 10 J).",

author = "Wenjin Zhang and Yiling Yang and Shaoyi Shi and Siping Pang and Yuchuan Li and Chenghui Sun",

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doi = "10.1039/d3cp02039h",

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T1 - Regulation of stability and density of energetic materials via isomerism

AU - Zhang, Wenjin

AU - Yang, Yiling

AU - Shi, Shaoyi

AU - Pang, Siping

AU - Li, Yuchuan

AU - Sun, Chenghui

PY - 2023/7/8

Y1 - 2023/7/8

N2 - 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 (Dv = 9250 m s−1 and IS = 10 J).

AB - 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 (Dv = 9250 m s−1 and IS = 10 J).

UR - http://www.scopus.com/inward/record.url?scp=85166396290&partnerID=8YFLogxK

U2 - 10.1039/d3cp02039h

DO - 10.1039/d3cp02039h

M3 - Article

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AN - SCOPUS:85166396290

SN - 1463-9076

VL - 25

SP - 20168

EP - 20172

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

IS - 30

ER -

Regulation of stability and density of energetic materials via isomerism

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