Regulating the Coordination Environment by Using Isomeric Ligands: Enhancing the Energy and Sensitivity of Energetic Coordination Compounds

• Published in: Inorganic chemistry 2023-10, Vol.62 (42), p.17417-17424
• Main Authors: Zhang, Chao, Wang, Tingwei, Xu, Meiqi, Kuang, Baolong, Xie, Zhiming, Yi, Zhenxin, Lu, Zujia, Li, Yan, Zhu, Shunguan, Zhang, Jianguo
• Format: Article
• Language: English
• ISSN: 0020-1669; 1520-510X
• DOI: 10.1021/acs.inorgchem.3c02755

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 1H-pyrazole-3-carbohydrazide (3-PZCA) as a ligand and creatively designed the energetic coordination compound (ECC) Ag­(3-HPZCA)2(ClO4)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 [ClO4 –] 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.