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, I 2, 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.

New Promises from an Old Friend: Iodine-Rich Compounds as Prospective Energetic Biocidal Agents

“…Mater. Interfaces2020124054140547 . The utilization of an easily coordinated IO 3 anion with metal forming 3D MOFs to exchange with [Cu­(atrz) 3 (NO 3 ) 2 ] n (atrz = 4,4′-azo-1,2,4-triazole) gives novel 3D MOFs with superior detonation performance combined with excellent biocidal effects.…”

“…On the basis of this, the energetic 3D MOF is also suitable for iodine-containing biocidal agents. We reported a 3D MOF biocidal agent with high throwing capacity for biosafety application . An iodine-containing 3D MOF, {[Cu­(atrz)­(IO 3 ) 2 ] n (atrz = 4,4′-azo-1,2,4-triazole)}, which was prepared using a post synthetic method from {[Cu­(atrz) 3 (NO 3 ) 2 ] n }, and IO 3 – has strong coordination ability and can be used as both the ligand and a counterion.…”

“…Iodine-containing 3D Metal–Organic Framework. Reproduced with permission from ref . Copyright 2020 American Chemical Society.…”

“…We reported a 3D MOF biocidal agent with high throwing capacity for biosafety application. 4 An iodine-containing 3D MOF, {[Cu-(atrz)(IO 3 ) 2 ] n (atrz = 4,4′-azo-1,2,4-triazole)}, which was prepared using a post synthetic method from {[Cu-(atrz) 3 (NO 3 ) 2 ] n }, and IO 3 − has strong coordination ability and can be used as both the ligand and a counterion. This 3D MOF has high density, good thermal stability and excellent biocidal effects, which can play the role of a potentially valuable biocidal agent in infection control (Figure 5).…”

Pushing the Limit of Nitro Groups on a Pyrazole Ring with Energy-Stability Balance

“…The spectacular development of metal–organic frameworks (MOFs) has drawn broad interest from many research fields including energetic materials and is encouraging the emergence of new energetic metal–organic frameworks (EMOFs). − The EMOFs typically consist of one- and two-dimensional (1D and 2D) structures formed by the coordination of nitrogen-rich ligands and metal ions. , Recently, three-dimensional (3D) EMOFs have attracted considerable interest owing to their rigid structures and high densities. , The coordination of metal ions with the nitro groups and active protons of azoles is a useful strategy to realize high-density 3D EMOFs . Recently, several groups reported the syntheses of EMOFs based on dinitromethyl- or trinitromethyl-functionalized azole rings (Figure b) .…”