五唑阴离子（N5ˉ）因其全氮元素结构特征一直是高能离子型全氮含能材料研究的重点。自2017年N5ˉ离子的制备技术瓶颈被突破以来，围绕制备稳定和高能N5ˉ离子盐成为了急切追求的目标。然而，经过这一年多的摸索研究，N5ˉ离子盐的制备产率、稳定性的调控及高能化过程基础技术问题却严重制约N5ˉ离子的发展。. 本项目从明晰切断芳基五唑中C-N键的机制角度出发，建立“一步法”高产率地制备结构上适合用于组装N5ˉ离子盐的技术方案；系统地研究阳离子结构性质、N5ˉ离子的成键规律以及离子交换技术对N5ˉ离子稳定性的调控机制，建立针对阳离子结构特点组装N5ˉ离子的技术体系；研究含能“反离子”的结构和化学性质对N5ˉ离子爆炸释能的影响过程，阐明离子之间的作用机理对爆炸释能影响，掌握N5ˉ离子高能化过程的控制因素。为获得高能量、低感度及热安定性好的N5ˉ离子型全氮含能材料提供理论依据和技术支撑。

Pentazolate anion (N5ˉ), which is a five-membered ring composed solely of nitrogen atoms, has been investigated for the ionic-type polynitrogen-based high-energy density material. Since the bottleneck technique of synthesis of cyclo-N5ˉ was overcome in 2007, a great deal of effort has been focused on preparing the stable and energetic pentazolate salts. However, over the past year, many basic issues for cyclo-N5ˉ, such as the yield, stability mechanisms and the forming of energetic processes, seriously impedes the further development of pentazolate anion. . This project will solve the primary mechanism of the rupture of C-N bond in phenylpentazole. Based on the above results, a lot of synthetic strategies will be developed to prepare the high yield and various structure of pentazolate salts. We also will investigate the key factors that contain the structural property of cations, metathesis, and the chemical bond between the cyclo-N5ˉ and the cations, to regulate the stability of cyclo-N5ˉ. Those results will be beneficial to establish an integrated system, which can fabricate a series of pentazolate salts on the basis of cations’ structure. Furthermore, in the light of high energetic material, we will investigate the effect of counter-ion structure on the energy release of cyclo-N5ˉ, and the energy-release mechanism between the ions on detonation performance. The fundamental research will provide reliable theoretical basis and synthetic method for the further preparing the ultrahigh energy, low sensitivity and stability of pentazolate compouds.