【作者】 徐建刚； 郑发鲲；

【Author】 Jian-Gang Xu;Fa-Kun Zheng;State Key Laboratory of Structural Chemistry,Fujian Institute of Research on the Structure of Matter,Chinese Academy of Sciences;

【机构】 中科院福建物质结构研究所；

【摘要】 在高能材料中最具挑战性的问题是设计并开发以平衡高爆炸性能和良好稳定性的高能密度材料¹。基于调节结构来调控性能思路,我们采用一个有效而又方便的方法来合成[Zn₄（Hdtm）₄（H₂O）₈]1（H3dtm=1H-咪唑-4,5-四唑）,它显示了高爆速、高爆压、高密度和可靠的热、撞击和摩擦稳定性（>46%N）。结构分析示出一种新颖和不寻常的分子结构,通过π-π堆积和氢键相互作用将四核椭球单元连接形成三维超分子结构。1作为四氮唑类富氮化合物,其燃烧焓高于传统含能材料RDX和HMX,并都具有正生成焓,这可能使他成为一类有前途的高能材料。更多还原

【Abstract】 Among energetic materials,the most challenging issue is to design synthesis and development of high energy density materials to achieve a fine balance between high detonation performance and reliable stability,we employ an efficient and convenient way to synthesize[Zn₄（Hdtm）₄（H₂O）₈]1（H₃dtm = 1H-imidazol-4,5-tetrazole）,which exhibits prominent characteristics with powerful detonation performance,high density,and reliable thermal,impact,and friction stabilities（>46%N）.The structural analysis illustrates the existence of a novel and unusual molecular architecture for 1,featuring an open ellipsoid tetranuclear unit via both π-π stacking interactions and hydrogen bonding interactions to give a 3D supramolecular architecture.As nitrogen-rich tetrazolate compounds,the enthalpies of combustion of 1 are higher than those of traditional energetic RDX and HMX,and possess the high positive heats of formation,which may make it to serve as a new family of promising energetic materials.更多还原