Enthalpy of formation and explosive properties of 5,6-(3,4-furazano)-1,2,3,4-tetrazine-1,3-dioxide

Pepekin, V. I.; Matyushin, Yu. N.; Gubina, T. V.

doi:10.1134/s1990793111020102

Cited by 41 publications

(13 citation statements)

References 2 publications

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“…The heats of formation were increased by -NO 2 , -C(NO 2 ) 3 , and -N=N-substitution, and the thermal stabilities were decreased by the introduction of-NO 2 , -NF 2 , -ONO 2 , -C(NO 2 ) 3 , or -N=N-into a parent ring. The only 1,2,3,4-tetrazine derivative with a measured enthalpy of formation is 5,6-(3,4-furazano)-1,2,3,4-tetrazine-1,3-dioxide [71].…”

Section: Issuementioning

confidence: 99%

Interplay of thermochemistry and structural chemistry, the journal (volume 24, 2013, issues 5–6) and the discipline

2014

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Section: Issuementioning

confidence: 99%

Interplay of thermochemistry and structural chemistry, the journal (volume 24, 2013, issues 5–6) and the discipline

2014

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“…However, as could be expected, the mechanical sensitivity of 3 is high. In particular, the critical initiation pressure value is 2.2 kbar [ 30 ], which is very close to 1.8 kbar of lead azide, a typical primary explosive [ 31 ]. The literature data on the thermal stability of 3 are contradictory.…”

Section: Introductionmentioning

confidence: 99%

Nitro-, Cyano-, and Methylfuroxans, and Their Bis-Derivatives: From Green Primary to Melt-Cast Explosives

et al. 2020

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In the present work, we studied in detail the thermochemistry, thermal stability, mechanical sensitivity, and detonation performance for 20 nitro-, cyano-, and methyl derivatives of 1,2,5-oxadiazole-2-oxide (furoxan), along with their bis-derivatives. For all species studied, we also determined the reliable values of the gas-phase formation enthalpies using highly accurate multilevel procedures W2-F12 and/or W1-F12 in conjunction with the atomization energy approach and isodesmic reactions with the domain-based local pair natural orbital (DLPNO) modifications of the coupled-cluster techniques. Apart from this, we proposed reliable benchmark values of the formation enthalpies of furoxan and a number of its (azo)bis-derivatives. Additionally, we reported the previously unknown crystal structure of 3-cyano-4-nitrofuroxan. Among the monocyclic compounds, 3-nitro-4-cyclopropyl and dicyano derivatives of furoxan outperformed trinitrotoluene, a benchmark melt-cast explosive, exhibited decent thermal stability (decomposition temperature >200 °C) and insensitivity to mechanical stimuli while having notable volatility and low melting points. In turn, 4,4′-azobis-dicarbamoyl furoxan is proposed as a substitute of pentaerythritol tetranitrate, a benchmark brisant high explosive. Finally, the application prospects of 3,3′-azobis-dinitro furoxan, one of the most powerful energetic materials synthesized up to date, are limited due to the tremendously high mechanical sensitivity of this compound. Overall, the investigated derivatives of furoxan comprise multipurpose green energetic materials, including primary, secondary, melt-cast, low-sensitive explosives, and an energetic liquid.

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“…The development of energetic materials is mainly focused on the synthesis of novel substances and modification of the existing formulations. The former path is exciting; however, it often has an unpredictable output, e. g., compounds with high performance can be too sensitive for handling [1]. The latter trend comprises a subset of various approaches from slight optimization based on target properties to extensive changes in components, e. g., downscaling to nanosize.…”

Section: Introductionmentioning

confidence: 99%

Progress in Additive Manufacturing of Energetic Materials: Creating the Reactive Microstructures with High Potential of Applications

Muravyev

Моногаров

Schaller

et al. 2019

Propellants Explo Pyrotec

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The modern “energetic‐on‐a‐chip” trend envisages reducing size and cost while increasing safety and maintaining the performance of energetic articles. However, the fabrication of reactive structures at micro‐ and nanoscales remains a challenge due to the spatial limitations of traditional tools and technologies. These mature techniques, such as melt casting or slurry curing, represent the formative approach to design as distinct from the emerging additive manufacturing (3D printing). The present review discusses various methods of additive manufacturing based on their governing principles, robustness, sample throughput, feasible compositions and available geometries. For chemical composition, nanothermites are among the most promising systems due to their high ignition fidelity and energetic performance. Applications of reactive microstructures are highlighted, including initiators, thrusters, gun propellants, caseless ammunition, joining and biocidal agents. A better understanding of the combustion and detonation phenomena at the micro‐ and nanoscale along with the advancement of deposition technologies will bring further developments in this field, particularly for the design of micro/nanoelectromechanical systems (MEMS/NEMS) and propellant grains with improved performance.

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Enthalpy of formation and explosive properties of 5,6-(3,4-furazano)-1,2,3,4-tetrazine-1,3-dioxide

Cited by 41 publications

References 2 publications

Interplay of thermochemistry and structural chemistry, the journal (volume 24, 2013, issues 5–6) and the discipline

Interplay of thermochemistry and structural chemistry, the journal (volume 24, 2013, issues 5–6) and the discipline

Nitro-, Cyano-, and Methylfuroxans, and Their Bis-Derivatives: From Green Primary to Melt-Cast Explosives

Progress in Additive Manufacturing of Energetic Materials: Creating the Reactive Microstructures with High Potential of Applications

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