2-Imidazolidone metal complexes: increased hydrogen bonds and fused ring ligand ratio to be insensitive

• Published in: CrystEngComm 2023-11, Vol.25 (46), p.6449-6454
• Main Authors: Kuang, Baolong, Wang, Tingwei, Zhang, Chao, Zhang, Han, Lu, Zujia, Xie, Zhiming, Xu, Meiqi, Yi, Zhenxin, Zhang, Jianguo
• Format: Article
• Language: English
• Subjects: Coordination compounds; Delay time; Detonation; Hydrogen bonds; Ignition; Lasers; Ligands; Sensitivity; Structural analysis; Thermal stability
• ISSN: 1466-8033; 1466-8033
• DOI: 10.1039/d3ce00891f

The structural effects of energetic coordination compounds (ECCs) influence their composition and performance. By modifying the coordination sites of the ligand and the type of metal, the structure of ECCs can be adjusted, effectively reconciling the contradiction between the performance and sensitivity. In this study, two types of 0D-structured ECCs Cu(2-IMTO) 4 (ClO 4 ) 2 (ECCs-1) and Co(2-IMTO) 6 (ClO 4 ) 2 (ECCs-2) were innovatively designed using 2-IMTO as the ligand. Structural analysis revealed that ECCs-1 contains a higher amount of [2-IMTO] with a ligand to [ClO 4 − ] ratio of 2 : 1. The results of physical and chemical property tests indicate that both possess acceptable mechanical sensitivity and good thermal stability. Explosion performance calculations revealed that ECCs-1 exhibits higher detonation velocity and pressure ( D = 6552 m s −1 and P = 18.7 GPa). Additionally, the laser ignition test results demonstrate that ECCs-1 can be ignited at a lower laser energy threshold (laser power P = 60 W, delay time τ = 10 ms, and ignition energy = 600 mJ). The two ECPs were prepared using 2-imidazolidone as a ligand, and the structure-activity relationship was studied. ECCs-1 possesses a higher density, enhanced detonation performance, and mechanical insensitivity.