Synthesis and characterization of thermally stable energetic complexes with 3,5-diaminopyrazolone-4-oxime as a nitrogen-rich ligand

Energetic metal organic frameworks (EMOFs) are increasingly developed and have proven to be candidates for novel high energy density materials (HEDM). Here, two energetic metal complexes based on 3,5-diaminopyrazolone-4-oxime (DAPO) ligands were synthesized by simple steps and fully characterized by...

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Bibliographic Details
Published in:CrystEngComm 2022-08, Vol.24 (3), p.5519-5526
Main Authors: Zhang, Lu, Dong, Wen-Shuai, Lu, Zu-Jia, Wang, Ting-Wei, Zhang, Chao, Zhou, Zun-Ning, Zhang, Jian-Guo
Format: Article
Language:English
Subjects:
Coordination compounds
Detonation
Energetic materials
Infrared spectroscopy
Ligands
Metal-organic frameworks
NMR
Nuclear magnetic resonance
Single crystals
Synthesis
Thermal analysis
Thermal stability
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Summary:Energetic metal organic frameworks (EMOFs) are increasingly developed and have proven to be candidates for novel high energy density materials (HEDM). Here, two energetic metal complexes based on 3,5-diaminopyrazolone-4-oxime (DAPO) ligands were synthesized by simple steps and fully characterized by NMR and IR spectroscopy, X-ray single-crystal diffraction, and DSC-TG. The detonation performance was calculated using the Kamlet-Jacobs formula. The crystal densities of these complexes (C 6 H 14 N 12 O 10 Co ( 2 ) and C 6 H 14 N 12 O 10 Cd ( 3 ) are as high as 1.945 g cm 3 at 163 K and 2.072 g cm −3 at 298 K, respectively. Thermal analysis by the DSC-TG test shows that they all have good thermal stability with the highest decomposition temperatures of 287 °C and 344 °C, respectively. These two as-synthesized complexes exhibit excellent detonation performance; 2 ( D = 8682 m s −1 , P = 34.98 GPa) and 3 ( D = 8383 m s −1 , P = 33.78 GPa) have good detonation velocity and detonation pressure that are superior to those of TNT, which is widely used today. Thus, they show great promise for potential applications as thermally stable energetic materials. Two thermally stable complexes based on DAPO were synthesized. The thermal decomposition temperatures were 287 °C and 344 °C, respectively. The detonation properties of the complexes were excellent with good detonation velocity and detonation pressure superior to that of TNT.
ISSN:1466-8033
1466-8033
DOI:10.1039/d2ce00715k