Regulating the Coordination Environment by Using Isomeric Ligands: Enhancing the Energy and Sensitivity of Energetic Coordination Compounds
Chao Zhang, Tingwei Wang, Meiqi Xu, Baolong Kuang, Zhiming Xie, Zhenxin Yi, Zujia Lu, Yan Li, Shunguan Zhu, Jianguo Zhang
Abstract
Transforming the energy storage structure is an effective approach to achieve a balance between the detonation performance and the sensitivity of energetic compounds, with a goal of high energy and low sensitivity. Building upon previous work, this study employed an isomeric compound 1 H -pyrazole-3-carbohydrazide ( 3-PZCA ) as a ligand and creatively designed the energetic coordination compound (ECC) Ag(3-HPZCA) 2 (ClO 4 ) 3 ( ECC-1 ). It is a novel material with a dual structure of ionic salts and coordination compounds, which represents the first report of such a structure in Ag(I)-based ECCs. With its unique structures, ECC-1 exhibits a larger [ClO 4 – ] content, a higher oxygen balance constant (OB = 0%), and superior mechanical sensitivity (IS = 13 J and FS = 40 N). Theoretical calculations indicate that ECC-1 has a higher detonation performance compared to previous work. Furthermore, the explosive experiment testing results demonstrate that it can be ignited by lower-threshold lasers and possesses excellent initiation capability and explosive power, making it suitable not only as a primary explosive but also as a secondary explosive.