Novel 3D cesium(<scp>i</scp>)-based EMOFs of nitrogen-rich triazole derivatives as “green” orange-light pyrotechnics

Wang, Tingwei; Zhou, Jinyang; Zhang, Qi; Zhang, Lin; Zhu, Shunguan; Li, Yan

doi:10.1039/c9nj03577j

Cited by 33 publications

(19 citation statements)

References 26 publications

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“…3 Owing to the essential energy and safety balance from EMs, the insensitive high explosives are characterized by relative low detonation energies at the moment. 4,5 For example, the detonation energy of TATB is only around 65% of that for the extensively used high explosive HMX. 5,6 On the other hand, although some other insensitive high energy density materials, such as LLM-105 and FOX-7, have been reported, it is still difficult to keep the corresponding balances between energy and safety.…”

Section: ■ Introductionsupporting

confidence: 93%

“…For energetic properties assessment, theoretical simulations and calculations , are performed on DNEPs by the generalized gradient approximation density functional of Materials Studio 8.0 and the density functional theory (DFT) method of Gaussian 09, the details of which could be found in our previous work, , and the results are given in Table . It could be seen from Table that both the densities and oxygen balances of DNEPs were all higher than those of BuNENA, close to those of TADONA, but lower than the reported results of BDNPF/A.…”

Section: Resultsmentioning

confidence: 99%

“…Miscibility properties could be evaluated theoretically by the solubility parameters (δ). The polymers and plasticizers are commonly expected to be miscible when their |Δδ| is smaller than 1.3–2.1 (J cm –3 ) 0.5 . , With the aid of a molecular dynamics method, the δ of DNEPs and GAP are calculated, and the results are tabulated in Table . As shown in Table , the δ of GAP was determined as 20.83 (J cm –3 ) 0.5 , and the δ of DNEPs is found to be decreased as the increased alkane length in the main chain of DNEPs.…”

Section: Resultsmentioning

confidence: 99%

“…1,3,5,7-tetranitro-1,3,5,7- tetrazocine (HMX), 1,3,5-triamino-2,4,6-trinitrobenzene (TATB), 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105), and 1,1-diamino-2,2-dinitroethene (FOX-7) are some presentative EMs which have been widely used and researched . Owing to the essential energy and safety balance from EMs, the insensitive high explosives are characterized by relative low detonation energies at the moment. , For example, the detonation energy of TATB is only around 65% of that for the extensively used high explosive HMX. , On the other hand, although some other insensitive high energy density materials, such as LLM-105 and FOX-7, have been reported, it is still difficult to keep the corresponding balances between energy and safety. − …”

Section: Introductionmentioning

confidence: 99%

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Novel Geminal Dinitro Esters As Energetic Plasticizers for GAP Binder

Wang¹,

Liu²,

Zhao³

et al. 2021

Ind. Eng. Chem. Res.

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Novel geminal dinitro ester energetic plasticizers (DNEPs) were designed with different alkane lengths in the mainchain, namely 2,2-dinitropropyl acetate (DNPAc), 2,2-dinitropropyl propionate (DNPPc), and 2,2-dinitropropyl propionate (DNPBc). Due to the incorporation of ester and dinitro groups, these three DNEPs were expected to possess high heat of formations and thermal decomposition temperatures (T p ) and lower glass transition temperatures (T g ). Likewise, their impact sensitivities were all measured as higher than 25.2 J. Due to the maximum alkane length of DNPBc, DNPBc possesses the highest T p and the lowest T g . As plasticizers for glycidyl azide polymer (GAP), DNEPs significantly improve the viscosity and T g of GAP. Particularly, the plasticizing efficiency of DNPBc is higher than that of the reported N-butyl nitroxyethyl nitramine (BuNENA). Likewise, the specific impulses of GAP/HMX based compositions with DNEPs as energetic plasticizers were all slightly higher than that of BuNENA. Therefore, these DNEPs (especially DNPBc) exhibit promising potential as candidates for replacement of BuNENA in GAP based propellants.

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Section: ■ Introductionsupporting

confidence: 93%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Novel Geminal Dinitro Esters As Energetic Plasticizers for GAP Binder

Wang¹,

Liu²,

Zhao³

et al. 2021

Ind. Eng. Chem. Res.

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“…Relying on the unique skeleton structure, energetic coordination polymers (ECPs) can not only keep the explosion energy of the original organism without loss but also improve its physical and chemical stability, , with the representative substances being MnBTO, {[Cd(ATDO) 2 ]·2H 2 O} n , and [Cu II (DNBT) 2 (H 2 O) 2 ] 2– . It is a very effective strategy to introduce an oxidizing acid anion like ClO 4 – , NO 3 – , and N(NO 2 ) 2 – into the periphery of energetic organic molecules.…”

Section: Introductionmentioning

confidence: 99%

Competitive Coordination of Azide Groups: Synthesis of Solvent-Free and Chlorine-Free Primary Explosives Based on 3-Amino-1-nitroguanidine

Wang

et al. 2021

Crystal Growth & Design

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A safe synthesis method for a new generation of primary explosives based on the guiding ideology of the coordination chemistry strategy with excellent performance capabilities has been developed. Based on 3-amino-1-nitroguanidine (ANQ), metal cations Co(II), Ni(II), and high-energy azide groups (N3 –), we created two coordination polymer primary explosives which are solvent-free and chlorine-free, and further confirmed by IR, elemental analysis, and single crystal X-ray diffraction. Thermal stability experiments have shown that their thermal decomposition temperature all exceed 170 °C. Sensitivity test and explosion parameter simulation show that 2 and 3 have excellent detonation performance and safety performance. In addition, the results of the initiating efficiency test support that 2 can be used as a suitable primary explosive.

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Trailblazing 3D MOFs Featuring 1,2,4‐Dinitrimino Triazole: Redefining Energetic Materials and Iodine Encapsulation

Jujam,

Rajak,

Dharavath

2024

Adv Funct Materials

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The quest for high‐performance energetic materials for defense and aerospace has intensified, focusing on balancing energy output and safety. This study presents the synthesis of 3D energetic metal‐organic frameworks (EMOFs) [Na3(DNT)(H2O)]n (Na‐MOF), [K2(DNT)2(H2O)]n (K‐MOF), and [Cs2(DNT)]n (Cs‐MOF) using 1,2,4‐dinitrimino triazole (DNT) through a hydrothermal process. The synthesized EMOFs are characterized using infrared spectroscopy, powder X‐ray diffraction, scanning electron microscopy (SEM), elemental analysis, and thermogravimetric analysis and differential scanning calorimetry, and structures confirmed via single‐crystal X‐ray diffraction, revealing 3D frameworks with crystal densities of 2.15, 2.16, and 2.86 g cm−3, respectively. Among them, Na‐MOF exhibits excellent detonation performance (VOD = 8900 m s−1, DP = 26.21 GPa), high thermal stability (Td = 369 °C), and insensitivity to impact and friction (IS = 40 J, FS = 360 N). K‐MOF displays balanced energetic and mechanical properties, while Cs‐MOF, though moderate in energetic performance, shows significant potential in pyrotechnic applications, producing a bright red flame. Intermolecular interactions are analyzed through Hirshfeld surface, 2D fingerprint, and SEM analyses, enhancing the understanding of particle size and morphology. Na‐MOF also demonstrates high iodine encapsulation capacity, positioning it as a potential replacement for traditional materials like RDX and heat‐resistant explosives such as HNS, with comparability to PYX.

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Novel 3D cesium(i)-based EMOFs of nitrogen-rich triazole derivatives as “green” orange-light pyrotechnics

Abstract: An ingenious strategy based on energetic metal–organic frameworks with cesium salts for green and practical pyrotechnic composition has been described.

Cited by 33 publications

References 26 publications

Novel Geminal Dinitro Esters As Energetic Plasticizers for GAP Binder

Novel Geminal Dinitro Esters As Energetic Plasticizers for GAP Binder

Competitive Coordination of Azide Groups: Synthesis of Solvent-Free and Chlorine-Free Primary Explosives Based on 3-Amino-1-nitroguanidine

Trailblazing 3D MOFs Featuring 1,2,4‐Dinitrimino Triazole: Redefining Energetic Materials and Iodine Encapsulation

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