Combustion of energetic iodine-rich coordination polymer – Engineering of new biocidal materials

Chinnam, Ajay Kumar; Shlomovich, Avital; Shamis, Olga; Petrutik, Nathan; Kumar, Dheeraj; Wang, Kangcai; Komarala, Eswaravara Prasadarao; Tov, Daniel Shem; Sućeska, Muhamed; Yan, Qi; Gozin, Michael

doi:10.1016/j.cej.2018.06.056

Cited by 24 publications

(12 citation statements)

References 64 publications

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“…With an experimental density of 3.11 g cm –3 at room temperature and heat of formation in hand, the detonation velocity of MOF (2) was calculated by Cheetah 8.0 to be 7271 ms –1 , which is the highest detonation velocity among all reported iodine-containing compounds and superior to that of TNT (6881 m –1 ), and its detonation pressure is 40.61 Gpa, exceeding that of HMX (39.50 Gpa). This is higher than those of all reported detonation pressure values of iodine-containing compounds. − The surprisingly elevated detonation properties of MOF (2) are the result of an ideal combination of high heat of formation, high density, and excellent oxygen balance, which could disperse the explosion products over a larger area.…”

Section: Results and Discussionmentioning

confidence: 81%

“…However, since it sublimes readily, elemental iodine itself is not useful as an antibiological agent. Until recently, the emergence of iodine-containing energetic compounds, which can kill harmful microorganisms by releasing I 2 upon initiation, was a milestone for both energetic materials and antibiological agents. − These compounds not only improved the biocidal efficiency but also precluded the sublimation of iodine in the antibiological agents. Nevertheless, the drawbacks of the current iodine-containing energetic agents are notable.…”

Section: Introductionmentioning

confidence: 99%

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

Zhang

Zhu

Zhou

et al. 2020

ACS Appl. Mater. Interfaces

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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.

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Section: Results and Discussionmentioning

confidence: 81%

Section: Introductionmentioning

confidence: 99%

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

Zhang

Zhu

Zhou

et al. 2020

ACS Appl. Mater. Interfaces

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“…In addition to energetic cocrystals and 3D MOFs, organic polymers are also used in the field of biocidal agents. Chinnam et al 41 reported the synthesis of iodine-containing biocidal agent polymers for the first time by starting from 3 (Scheme 12). Compared with small molecules, the polymers have good thermal stability, iodine content and sensitivity.…”

Section: Nitro Group-containing Iodine-rich Compoundsmentioning

confidence: 99%

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

Chang

Zhao

et al. 2020

Acc. Chem. Res.

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Metrics & MoreArticle Recommendations CONSPECTUS: For a very long time, frequent occurrences of biocrises have wreaked havoc on human beings, animals, and the environment. As a result, it is necessary to develop biocidal agents to destroy or neutralize active agents by releasing large amounts of strong biocides which are obtained upon detonation. Iodine is an efficient biocidal agent for bacteria, fungi, yeasts, viruses, spores, and protozoan parasites, and it is the sole element in the periodic table that can destroy microbes without contaminating the environment. Based on chemical biology, the mechanism of iodine as a bactericide may arise from oxidation and iodination reactions of cellular proteins and nucleic acids. However, because of the high vapor pressure causing elemental iodine to sublime readily at room temperature, it is inconvenient to use this material in its normal solid state directly as a biocidal agent under ambient conditions. Iodine-rich compounds where iodine is firmly bonded in molecules as a C−I or I−O moiety have been observed to be among the most promising energetic biocidal compounds. Gaseous products comprised of large amounts of iodine or iodine-containing components as strong biocides are released in the decomposition or explosion of iodine-rich compounds. Because of the detonation pressure, the iodine species are distributed over a large area greatly improving the efficacy of the system and requiring considerably less effort compared to traditional biocidal methods. The commercially available tetraiodomethane and tetraiodoethene, which possess superb iodine content also have the disadvantages of volatility, light sensitivity, and chemically reactivity, and therefore, are not suitable for use directly as biocidal agents. It is absolutely critical to synthesize new iodine-rich compounds with good thermal and chemical stabilities.In this Account, we describe our strategies for the syntheses of energetic iodine-rich compounds while maintaining the maximum iodine content with concomitant stability and routes for the synthesis of oxygen-containing iodine-rich compounds to improve the oxygen balance and achieve both high-energy and high-iodine content. In the other work, which involves cocrystals, iodinecontaining polymers were also summarized. It is hoped that this Account will provide guidelines for the design and syntheses of new iodine-rich compounds and a route for the development of inexpensive, more efficient, and safer iodine-rich antibiological warfare agents of the future.

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“…Energetic metal–organic frameworks (E-MOFs), as an emerging class of high-energy-density materials, are of current interest because of their potential applications as combustion catalysts, initiating substances, biocidal materials, pyrotechnic additives, and functional precursors of advanced carbon materials. − Up to now, a number of E-MOFs with fascinating structures, high thermal stabilities, and adjustable energetic performances have been prepared. Among them, transition-metal-based E-MOFs are the most typical due to their environmentally friendly characteristics and excellent energetic properties.…”

Section: Introductionmentioning

confidence: 99%

Energetic Metal–Organic Frameworks Incorporating NH₃OH⁺ for New High-Energy-Density Materials

et al. 2019

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Energetic metal−organic frameworks (E-MOFs) have witnessed increasing development over the past several years. However, as a highly energetic cation, NH 3 OH + has never been explored to construct transition-metal-based E-MOFs. Herein, we report the first examples of NH 3 OH + -containing E-MOFs with bis(tetrazole)methane (H 2 btm) as a ligand and copper and manganese as central metal ions, [(NH 3 OH) 2 (Cu-(btm) 2 )] n and [(NH 3 OH) 2 (Mn(btm) 2 )] n . Crystal structure determinations reveal that both E-MOFs show two-dimensional layered structures. Experimental results suggest that they have high thermal decomposition temperatures (>200 °C). Among them, Cu-based E-MOFs possesses outstanding thermal stability (T dec = 230.3 °C), which surpasses those of known NH 3 OH + -containing compounds. They also have high energy density; in particular, the Cu-based E-MOF affords a high heat of combustion (11447 kJ kg −1 ) and high heat of detonation (713.8 kJ mol −1 ) beyond the most powerful organic explosives in use today. Additionally, the two E-MOFs show completely different sensitivity properties: the Mn-based E-MOF is an insensitive high-energy-density material (IS > 40 J; FS > 360 N; EDS > 20 J), while the Cu-based E-MOF can be classified as a sensitive energetic material (IS = 13 J; FS = 216 N; EDS = 10.25 J), demonstrating their diverse applications in different fields. Our research proposes a unique class of high-energy-density materials.

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Combustion of energetic iodine-rich coordination polymer – Engineering of new biocidal materials

Cited by 24 publications

References 64 publications

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

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

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

Energetic Metal–Organic Frameworks Incorporating NH₃OH⁺ for New High-Energy-Density Materials

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Combustion of energetic iodine-rich coordination polymer – Engineering of new biocidal materials

Cited by 24 publications

References 64 publications

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

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

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

Energetic Metal–Organic Frameworks Incorporating NH3OH+ for New High-Energy-Density Materials

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Energetic Metal–Organic Frameworks Incorporating NH₃OH⁺ for New High-Energy-Density Materials