Study on the structure-property relationship of energetic metal-organic frameworks: A guide to the development of high energetic materials

摘要

The study of structure-property relationship is one of the key pillars of energetic materials since it would allow for better design and achievement of desired properties. Here two kinds of energetic metal-organic frameworks (MOFs): 3D cationic MOFs (CMOFs) and ID neutral MOFs (NMOFs) using two different ligands 4,4'-bi-1,2,4-triazole (btrz) and 4,4'-azo-1,2,4-triazole (atrz) were synthesized and characterized. For the 3D cationic MOFs, the effect of ligand backbones and anionic groups were studied, and the results showed that the effect of ligand backbones on the CMOFs is inverse that of the backbones on traditional energetic compounds, while the effect of the anionic groups follows the traditional group law. In addition, for the ID NMOFs, [Cu(btrz)(DNP)_2] has higher density and better thermal stability than its analogy [Cu(atrz)(DNP)_2](DNP=3,5-dinitropyrazolate anion), although ligand atrz has higher density and decomposition temperature. This investigation of understanding the structure-property relationship in energetic MOFs will bring about new insight for the design and synthesis of novel high energetic materials.