Superior High-Energy-Density Biocidal Agent Achieved with a 3D Metal-Organic Framework

A significant number of challenges are encountered when developing biocidal agents with high throwing capacity for biosafety applications. Now a three-dimensional metal-organic framework (3D MOF) {MOF (2), [Cu(atrz)(IO₃)₂] (atrz = 4,4'-azo-1,2,4-triazole)} was obtained using a postsynthetic method from MOF (1) {[Cu(atrz)₃(NO₃)₂]}. Benefitting from the oxygen-rich and small volume of the iodate (IO₃) ligands (2.73 Å) in MOF (2) compared to the atrz ligand (7.70 Å) in MOF (1), the density of MOF (2) is 3.168 g cm^-3, nearly twice that of its precursor. Its detonation velocity of 7271 ms^-1 exceeds that of TNT (trinitrotoluene) and its detonation pressure of 40.6 GPa is superior to that of HMX (cyclotetramethylenetetranitramine) (1,3,5,7-tetranitro-1,3,5,7-tetrazoctane, 39.2 Gpa), which are the highest detonation properties for a biocidal agent. Its superior detonation performance results in its main product, I₂, being distributed over a wide area, markedly reducing the diffusion of harmful microorganisms. This study offers novel insight not only for high-energy-density materials but also for huge potential applications as biocidal agents.