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在含能化合物合成中解析3,3'-(5-二硝基甲基-1,2,4-恶二唑基)-4,4'-偶氮呋咱酸酯中偶氮桥的反应活性

Unraveling the reactivity of the azo bridge in 3,3'-(5-dinitromethyl-1,2,4-oxadiazolyl)-4,4'-azofurazanate in the synthesis of energetic compounds.

作者信息

Chen Peng, Qiu Lili, Yin Ping, He Chunlin, Pang Siping, Shreeve Jean'ne M

机构信息

Experimental Center of Advanced Materials, School of Materials Science & Engineering, Beijing Institute of Technology, Beijing 10081, China.

School of Materials Science & Engineering, Beijing Institute of Technology, Beijing 10081, China.

出版信息

Chem Commun (Camb). 2022 Feb 24;58(17):2874-2877. doi: 10.1039/d2cc00215a.

DOI:10.1039/d2cc00215a
PMID:35132983
Abstract

The introduction of an azo bridge into an energetic compound is an efficient strategy to improve its nitrogen content, heat of formation and detonation performances. 3,3'-(5-Methyl dinitroacetate-1,2,4-oxadiazolyl)-4,4'-azofurazan exhibits unusual reactivity with several bases while preparing its corresponding azo bridged energetic salts. These interesting phenomena were explained by both experimental and theoretical calculations with Gaussian 09. The physical and chemical properties of three energetic salts were evaluated. These materials exhibit high densities, excellent detonation properties and acceptable sensitivities.

摘要

将偶氮桥引入含能化合物是提高其氮含量、生成热和爆轰性能的有效策略。3,3'-(5-甲基二硝基乙酸酯-1,2,4-恶二唑基)-4,4'-偶氮呋咱在制备其相应的偶氮桥连含能盐时,与几种碱表现出异常的反应活性。通过高斯09软件进行的实验和理论计算对这些有趣的现象进行了解释。评估了三种含能盐的物理和化学性质。这些材料具有高密度、优异的爆轰性能和可接受的感度。

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