Constructing insensitive heat-resistant energetic materials via hydrazo bridge mediated resonance-assisted hydrogen bonds†

IF 2.6 3区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

CrystEngComm Pub Date : 2025-07-01 DOI:10.1039/D5CE00494B

Xing Zhang, Linhu Pan, Min Li, Jianquan Jing, Honglei Xia and Qinghua Zhang

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Abstract

Constructing heat-resistant explosives (T_d > 350 °C) has become an important direction in the field of energetic materials. Herein, a new heat-resistant energetic compound, 6,6′-(hydrazine-1,2-diyl)bis(8-nitro-[1,2,4]triazolo[4,3-b]pyridazine-3,7-diamine), namely HDP, was designed and synthesized based on the combined strategies of the hydrazo bridge and resonance-assisted hydrogen bonds (RAHBs). HDP exhibits a striking peak thermal decomposition temperature (T_d = 374.6 °C), which is more outstanding than that of the recently reported hydrazo bridge heat-resistant molecules and even higher than that of the widely used heat-resistant explosives HNS (T_d = 349 °C), TATB (T_d = 360 °C), and PYX (T_d = 377 °C). Moreover, HDP exhibits good mechanical sensitivities (IS = 40 J, FS = 360 N). Theoretical calculations reveal that stronger RAHBs are conducive to the high planarity of molecules and strong interactions in crystals. These findings indicate that the hydrazo bridge mediated RAHBs are an effective strategy to enhance thermal stability and to reduce sensitivity.

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利用偶联桥介导的共振辅助氢键构建不敏感耐热含能材料

构造耐热炸药(Td >；350°C)已成为含能材料领域的一个重要方向。本文基于水合桥和共振辅助氢键（RAHBs）的结合策略，设计合成了一种新的耐热能化合物6,6′-（肼-1,2-二基）双（8-硝基-[1,2,4]三唑[4,3-b]吡啶-3,7-二胺）HDP。HDP具有显著的热分解峰温度（Td = 374.6℃），比最近报道的联桥耐热分子更为突出，甚至高于目前广泛使用的耐热炸药HNS （Td = 349℃）、TATB （Td = 360℃）和PYX （Td = 377℃）。此外，HDP具有良好的机械灵敏度（IS = 40 J, FS = 360 N）。理论计算表明，较强的rahb有利于分子的高平面度和晶体中的强相互作用。这些结果表明，腙桥介导的rahb是提高热稳定性和降低灵敏度的有效策略。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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