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

Abstract

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]n (atrz = 4,4′-azo-1,2,4-triazole)} was obtained using a postsynthetic method from MOF (1) {[Cu(atrz)3(NO3)2]n}. 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.