Power of sulfur – Chemistry, properties, laser ignition and theoretical studies of energetic perchlorate-free 1,3,4-thiadiazole nitramines

Das, Josodhir; Shem‐Tov, Daniel; Zhang, Shijie; Gao, Cong-Zhang; Zhang, Lei; Yao, Chuang; Flaxer, Eli; Stierstorfer, Jörg; Wurzenberger, Maximilian H. H.; Rahinov, Igor; Gozin, Michael

doi:10.1016/j.cej.2022.136246

Cited by 24 publications

(19 citation statements)

References 103 publications

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“…The result of N + O correlated with the calculated value of the detonation velocity and pressure in Table . Owing to the existence of the metal atoms, the detonation performances decreased for 2 and 5 – 6 within the range of 6458–7661, lower than that of 7 – 11 within 7486–8894, because coordinated metal atoms cannot provide huge explosive energies directly like energetic cations. − Compound 11 of [(C 4 N 8 O 4 2– ) (CH 9 N 6 + ) 2 ] achieved the highest detonation velocity (exceeding that of TNT (6881) and RDX (8795)). , This probably originated from its high percentage of N atoms and Δ H f . All the test data of E -MOFs and EMs (compared with the main explosives of RDX, HMX, and TNT, which are widely used in the market) have been exhibited in Table .…”

Section: Resultsmentioning

confidence: 99%

“…Energetic salts can comprise energetic anions with other energetic cations or metal ions. Typically, the energy stored and released from EMs originate from energetic anions; therefore, the development of excellent energetic anions is important. − Among numerous energetic functional groups, N -rich heterocycles are recognized as superior in EMs because of their high heat of formation (Δ H f ) and detonation performance. Tetrazoles, triazoles, azines, and oxadiazoles are typically N -rich heterocycle backbones, which have been widely used in the field of EMs.…”

Section: Introductionmentioning

confidence: 99%

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Construction of High-Performance Energetic MOFs: C₄N₈O₄^2– and C₃N₄O₄^2– with Their Derivatives, Compared with Their Energetic Salts

Zhang

Liu

et al. 2023

Crystal Growth & Design

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A promising strategy for handling the inherent contradiction of energetic materials (EMs, energy vs stability) of energetic metal–organic frameworks and energetic salts is proposed. A series of novel high-performance EMs, energetic metal–organic frameworks of [(C4N8O4 2–)(K+)2(H2O)2], [(C3N4O4 2–)2(Cu2+)2(H2O)4], [(C4HN8O4 –)(K+)(H2O)] and [(C4HN8O4 –) (K+)(H2O)] (2–3 and 5–6) and energetic salts of 7–11, were synthesized, characterized, and fully investigated. The detailed structures and physiochemical properties of 2–3 and 5–8 were obtained by single-crystal X-ray diffraction (XRD). Differential scanning calorimetry, impact sensitivity, and friction sensitivity were measured followed by the simulation and calculation of the ΔH f, noncovalent interaction, detonation velocity and pressure, and Hirshfeld surface to evaluate the comprehensive physiochemical properties of the synthesized substances. The relationships between the thermal stabilities, mechanical sensitivities, and detonation performance with molecular structures of the compounds were fully discussed. Additionally, the reaction transition states and bond dissociation energy of nitro were simulated to investigate the reaction mechanism of the preparation and decomposition of 2 for future studies on EMs.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Construction of High-Performance Energetic MOFs: C₄N₈O₄^2– and C₃N₄O₄^2– with Their Derivatives, Compared with Their Energetic Salts

Zhang

Liu

et al. 2023

Crystal Growth & Design

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“…[ 97 ] To study the laser ignitability properties of triazenes 3–7, their powders were pressed into small cylindrical pellets, and irradiated with an NIR laser (operating at 915 nm, and a maximum power of 8.0 W) ( Figure ; Figures S31, S32, Supporting Information). [ 98 ] Laser ignition of pellets of 3, 4, and 7 resulted in its self‐propagating combustion, without obvious expansion of these pellets upon their self‐combustion was observed. In contrast, self‐propagating combustion of pellet of 5 led to a vast material expansion and formation of a porous solid foam.…”

Section: Resultsmentioning

confidence: 99%

Carbon‐Nitride Popcorn—A Novel Catalyst Prepared by Self‐Propagating Combustion of Nitrogen‐Rich Triazenes

Das

Zhang

et al. 2023

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The interest in development of non‐graphitic polymeric carbon nitrides (PCNs), with various C‐to‐N ratios, having tunable electronic, optical, and chemical properties is rapidly increasing. Here the first self‐propagating combustion synthesis methodology for the facile preparation of novel porous PCN materials (PCN3‐PCN7) using new nitrogen‐rich triazene‐based precursors is reported. This methodology is found to be highly precursor dependent, where variations in the terminal functional groups in the newly designed precursors (compounds 3–7) lead to different combustion behaviors, and morphologies of the resulted PCNs. The foam‐type highly porous PCN5, generated from self‐propagating combustion of 5 is comprehensively characterized and shows a C‐to‐N ratio of 0.67 (C3N4.45). Thermal analyses of PCN5 formulations with ammonium perchlorate (AP) reveal that PCN5 has an excellent catalytic activity in the thermal decomposition of AP. This catalytic activity of PCN5 is further evaluated in a closer‐to‐application scenario, showing an increase of 18% in the burn rate of AP‐Al‐HTPB (with 2 wt% of PCN5) solid composite propellant. The newly developed template‐ and additive‐free self‐propagating combustion synthetic methodology using specially designed nitrogen‐rich precursors should provide a novel platform for the preparation of non‐graphitic PCNs with a variety of building block chemistries, morphologies, and properties suitable for a broad range of technologies.

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“…The nanopowders synthesized in this study, especially ZnO:Cu, provided not only relatively low initiation thresholds but also the guaranteed initiation of samples by a blue laser diode, when the combustion without a complete explosion of the sample was not observed. It is worth noting that most studies devoted to both the photosensitization of industrial energetic materials and the development of new materials for laser initiation, with some exceptions [ 7 , 14 , 22 , 46 ], consider the self-sustaining combustion of the sample as a criterion for successful ignition [ 11 , 12 , 47 ]. In this work, a more intensive process was observed as a successful initiation, despite the small size of the sample.…”

Section: Resultsmentioning

confidence: 99%

Iron and Copper Doped Zinc Oxide Nanopowders as a Sensitizer of Industrial Energetic Materials to Visible Laser Radiation

et al. 2022

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The development of methods ensuring reliable control over explosive chemical reactions is a critical task for the safe and efficient application of energetic materials. Triggering the explosion by laser radiation is one of the promising methods. In this work, we demonstrate a technique of applying the common industrial high explosive pentaerythritol tetranitrate (PETN) as a photosensitive energetic material by adding zinc oxide nanopowders doped with copper and iron. Nanopowders of ZnO:Fe and ZnO:Cu able to absorb visible light were synthesized. The addition of one mass percent nanopowders in PETN decreased the threshold energy density of its initiation through Nd:YAG laser second harmonic (2.33 eV) by more than five times. The obtained energetic composites can be reliably initiated by a CW blue laser diode with a wavelength of 450 nm and power of 21 W. The low threshold initiation energy and short irradiation exposure of the PETN-ZnO:Cu composite makes it applicable in laser initiation devices. PETN-ZnO:Cu also can be initiated by an infrared laser diode with a wavelength of 808 nm. The proposed photochemical mechanism of the laser-induced triggering of the explosion reaction in the studied energetic composites was formulated. The results demonstrate the high promise of using nanomaterials based on zinc oxide as a sensitizer of industrial energetic materials to visible laser radiation.

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Power of sulfur – Chemistry, properties, laser ignition and theoretical studies of energetic perchlorate-free 1,3,4-thiadiazole nitramines

Cited by 24 publications

References 103 publications

Construction of High-Performance Energetic MOFs: C₄N₈O₄^2– and C₃N₄O₄^2– with Their Derivatives, Compared with Their Energetic Salts

Construction of High-Performance Energetic MOFs: C₄N₈O₄^2– and C₃N₄O₄^2– with Their Derivatives, Compared with Their Energetic Salts

Carbon‐Nitride Popcorn—A Novel Catalyst Prepared by Self‐Propagating Combustion of Nitrogen‐Rich Triazenes

Iron and Copper Doped Zinc Oxide Nanopowders as a Sensitizer of Industrial Energetic Materials to Visible Laser Radiation

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Power of sulfur – Chemistry, properties, laser ignition and theoretical studies of energetic perchlorate-free 1,3,4-thiadiazole nitramines

Cited by 24 publications

References 103 publications

Construction of High-Performance Energetic MOFs: C4N8O42– and C3N4O42– with Their Derivatives, Compared with Their Energetic Salts

Construction of High-Performance Energetic MOFs: C4N8O42– and C3N4O42– with Their Derivatives, Compared with Their Energetic Salts

Carbon‐Nitride Popcorn—A Novel Catalyst Prepared by Self‐Propagating Combustion of Nitrogen‐Rich Triazenes

Iron and Copper Doped Zinc Oxide Nanopowders as a Sensitizer of Industrial Energetic Materials to Visible Laser Radiation

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Construction of High-Performance Energetic MOFs: C₄N₈O₄^2– and C₃N₄O₄^2– with Their Derivatives, Compared with Their Energetic Salts

Construction of High-Performance Energetic MOFs: C₄N₈O₄^2– and C₃N₄O₄^2– with Their Derivatives, Compared with Their Energetic Salts