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]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.