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通过用二硝基甲基和羟基四唑官能化来定制吡唑杂化物的能量特性。

Tailoring the Energetic Properties of Pyrazole Hybrids through Functionalization with Dinitromethyl and -Hydroxytetrazole.

作者信息

Thaltiri Vikranth, Staples Richard J, Shreeve Jean'ne M

机构信息

Department of Chemistry, University of Idaho, Moscow, Idaho 83844-2343, United States.

Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, United States.

出版信息

J Org Chem. 2024 Dec 20;89(24):18612-18618. doi: 10.1021/acs.joc.4c02543. Epub 2024 Dec 5.

DOI:10.1021/acs.joc.4c02543
PMID:39636179
Abstract

The functionalization of pyrazole-based compounds with dinitromethyl and -hydroxytetrazole groups resulted in enhanced energetic properties. Two key compounds, 5-(dinitromethyl)-3,4-dinitro-1-pyrazole () and 5-(3,4-dinitro-1-pyrazol-5-yl)-1-tetrazol-1-ol (), along with their salts, were synthesized and evaluated for their energetic properties. Notably, the bishydroxylammonium salts (: 8778 m·s; : 33.1 GPa) and (: 8988 m·s; : 34.6 GPa) demonstrated an optimal balance between high detonation performance, good thermal stability, and low sensitivity, outperforming RDX, and positioning them as promising candidates for advanced secondary energetic materials.

摘要

吡唑基化合物与二硝甲基和羟基四唑基团的官能化导致能量性能增强。合成了两种关键化合物,5-(二硝甲基)-3,4-二硝基-1-吡唑()和5-(3,4-二硝基-1-吡唑-5-基)-1-四唑-1-醇()及其盐,并对其能量性能进行了评估。值得注意的是,双羟铵盐(:8778 m·s;:33.1 GPa)和(:8988 m·s;:34.6 GPa)在高爆轰性能、良好的热稳定性和低感度之间表现出最佳平衡,优于RDX,并使其成为先进二次含能材料的有前途的候选物。

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引用本文的文献

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