Oxygen-Enriched Metal–Organic Frameworks Based on 1-(Trinitromethyl)-1H-1,2,4-Triazole-3-Carboxylic Acid and Their Thermal Decomposition and Effects on the Decomposition of Ammonium Perchlorate,ACS Applied Materials & Interfaces

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Oxygen-Enriched Metal–Organic Frameworks Based on 1-(Trinitromethyl)-1H-1,2,4-Triazole-3-Carboxylic Acid and Their Thermal Decomposition and Effects on the Decomposition of Ammonium Perchlorate
ACS Applied Materials & Interfaces ( IF 8.3 ) Pub Date : 2021-04-30 , DOI: 10.1021/acsami.1c03110
Feng Yang ₁ , Yuangang Xu ₁ , Pengcheng Wang ₁ , Qiuhan Lin ₁ , Ming Lu ₁

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Energetic metal–organic frameworks (EMOFs) with a high oxygen content are currently a hot spot in the field of energetic materials research. In this article, two series of EMOFs with different ligands were obtained by reacting 1-(trinitromethyl)-1H-1,2,4-triazole-3-carboxylic acid (tntrza) with metal iodide and metal nitrate, respectively. Furthermore, their structure, thermal stability, thermal decomposition kinetics, and energy performance are fully characterized. The research results revealed that the synthesized EMOFs possess a wide range of density (ρ = 1.88∼2.595 g cm^–3), oxygen balance (OB(CO₂) = −21.1∼ −4.3%), and acceptable energy performance (D = 7.73∼8.74 km s^–1 and P = 28.1∼41.1 GPa). The difference in OB(CO₂) caused by the ligand structure and metal properties has a great impact on the distribution of gas-phase products after the decomposition of these EMOFs. Noteworthy, [Ag(tntrza)]_n is particularly prominent among these EMOFs, not only because of its excellent detonation performance (D = 8.74 km s^–1 and P = 41.1 GPa) endowed by its extremely high density (ρ = 2.595 g cm^–3) and oxygen balance (OB(CO₂) = −4.3%) but also because of its effective catalytic effect on the decomposition of ammonium perchlorate (AP). This article broadens the horizon for the study of oxygen-enriched EMOFs with catalytic effects and helps understand the mechanism of thermal decomposition of EMOFs with nitroform and dinitro groups.

中文翻译：

基于1-（三硝基甲基）-1 H -1,2,4-三唑-3-羧酸的富氧金属有机骨架及其热分解和对高氯酸铵分解的影响

高含氧量的高能金属-有机骨架（EMOF）是目前高能材料研究领域的热点。在本文中，通过使1-（三硝基甲基）-1H-1,2,4-三唑-3-羧酸（tntrza）与金属碘化物和金属硝酸盐反应，获得了两个具有不同配体的EMOF系列。此外，它们的结构，热稳定性，热分解动力学和能量性能都得到了充分表征。研究结果表明，合成的EMOF具有宽范围的密度（ρ= 1.88〜2.595 g cm ^–3），氧平衡（OB（CO ₂）= -21.1〜-4.3％）和可接受的能量性能（D = 7.73〜8.74 km s ^–1和P= 28.1〜41.1 GPa）。这些EMOF分解后，由配体结构和金属性质引起的OB（CO ₂）差异对气相产物的分布有很大影响。值得注意的是，[Ag（tntrza）] _n在这些EMOF中尤为突出，不仅因为其出色的爆炸性能（D = 8.74 km s ^–1和P = 41.1 GPa），还因为其极高的密度（ρ= 2.595 g cm ^–3）和氧气平衡（OB（CO ₂）= -4.3％），还因为它对高氯酸铵（AP）的分解具有有效的催化作用。本文拓宽了具有催化作用的富氧EMOF的研究视野，并有助于了解具有亚硝基和二硝基基团的EMOF的热分解机理。

更新日期：2021-05-12

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