Synergetic Explosive Performance through Cocrystallization

Snyder, Christopher J.; Imler, Gregory H.; Chávez, David E.; Parrish, Damon A.

doi:10.1021/acs.cgd.0c01267

Cited by 13 publications

(5 citation statements)

References 28 publications

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“…Meanwhile, the synthetic route toward 4 was also achieved from the tetrazole-substituted pyrimidine (3). In this approach, 5-aminotetrazole was converted to its potassium salt first, since 5-aminotetrazole exhibits weaker nucleophilicity than hydroxylamine.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

“…As the carrier of storing and releasing chemical energy, energetic materials play irreplaceable roles in civil construction and military defense. − According to different applications, they can be divided into primary explosives, , booster explosives, propellants, − and heat-resistant explosives. , Among them, heat-resistant explosives (HREs) are a class of energetic compounds with onset decomposition temperature exceeding 300 °C. Hexanitrosilbene (HNS) and 2,4,6-triamino-1,3,5-trinitrobenzene (TATB) are two well-known HREs, because of their high thermal stability. − However, the relatively low detonation performance of HNS and high initiation requirements of TATB, somewhat restrict their broad applications .…”

Section: Introductionmentioning

confidence: 99%

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Reducing the Electron Delocalization of FOX-7 toward a Thermally Stable Explosive as a Hexanitrosilbene (HNS) Replacement

Yin

Huang

Zeng

et al. 2022

Crystal Growth & Design

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Exploring derivatives of FOX-7 to improve the thermal stability has been an important project in the field of energetic materials. Creating vicinal nitro/amino arrangement and planar structure are the most common strategies used to improve the thermal stability of energetic materials. In this research, a carbonyl substituted vicinal nitro/amino pyrimidine (4) with planar structure was synthesized. It showed ultrahigh thermal stability with the onset decomposition temperature of 328 °C, which is higher than the commonly used heat-resistant explosive hexanitrosilbene (HNS) (T d = 322 °C). 4 also exhibited extremely low mechanical sensitivities, compared to these of HNS, which further guaranteed its application as an HNS replacement.

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Section: ■ Results and Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Reducing the Electron Delocalization of FOX-7 toward a Thermally Stable Explosive as a Hexanitrosilbene (HNS) Replacement

Yin

Huang

Zeng

et al. 2022

Crystal Growth & Design

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“…In addition, the detonation performance of the ECC appears to be superior to theoretical prediction, providing it with synergistic properties. This is achieved by (i) appropriate pairing of the cocrystallizing molecules, (ii) developing setups that have H-donor and -acceptor sites, (iii) electron deficient and rich π-systems that ultimately result in an increase in the density of the consequent ECC through strong intermolecular interactions [ 69 ].…”

Section: New Energetic Cocrystalsmentioning

confidence: 99%

Recent Progress on Synthesis, Characterization, and Performance of Energetic Cocrystals: A Review

Sultan

Haq

et al. 2022

Molecules

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In the niche area of energetic materials, a balance between energy and safety is extremely important. To address this “energy–safety contradiction”, energetic cocrystals have been introduced. The investigation of the synthesis methods, characteristics, and efficacy of energetic cocrystals is of the utmost importance for optimizing their design and development. This review covers (i) various synthesis methods for energetic cocrystals; (ii) discusses their characteristics such as structural properties, detonation performance, sensitivity analysis, thermal properties, and morphology mapping, along with other properties such as oxygen balance, solubility, and fluorescence; and (iii) performance with respect to energy contents (detonation velocity and pressure) and sensitivity. This is followed by concluding remarks together with future perspectives.

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“…Novel organic radical platforms of highly stable organic radicals appear rarely and often require a unique combination of professional skill and creative search. Previously, 4 H ,8 H -bis(furazano)[3,4- b :3′,4′- e ]pyrazine (H 2 L) was investigated in the chemistry of energetic materials only, − and it was noted that its radical species can be obtained by oxidation with powerful oxidants like anhydrous nitric acid, fluorine, chlorine, or hot Caro’s acid . Recently, it was shown that in alkaline media, weaker oxidants may be used for the oxidation of H 2 L, and paramagnetic salts of alkali metal ions and ammonium with L were obtained .…”

Section: Introductionmentioning

confidence: 99%

Paramagnetic Salts of Ca, Ba, and Pb with Difurazanopyrazine and Difurazanopyrazine-N-oxide Radical Anions

Romanenko,

Fokin,

Bogomyakov

et al. 2023

Crystal Growth & Design

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Oxidation of 4H,8H-bis(1,2,5-oxadiazolo)[3,4-b:3′,4′-e]pyrazine H2L in the presence of Ba or Ca oxide leads to the formation of paramagnetic Ba(II) and Ca(II) salts, respectively. It was shown that the basicity of the reaction mixture plays an important role in the oxidation of H2L. Molecular and crystal structures of [Ba(L)2(H2O)5]·2H2O, [Ba2(L)(HL)2(H2O)6](L)·4H2O, [Ba(HL)(H2O)6](HL)·H2O, and [Ca(L)(H2O)6]2Br2 were determined. It was found that paramagnetic [Pb(L)2(H2O)5]·2H2O can be obtained by H2L oxidation with PbO2 in the absence of alkaline earth metal oxides. It was shown that using two oxidizing agents, PbO2 and Br2, in the reaction of BaO with H2L allows us to obtain paramagnetic salts with a new anion radical bis(1,2,5-oxadiazolo)[3,4-b:3′,4′-e]pyrazine-4-oxyl (LO) and “singlet diradical” LO1. It was found that, depending on the synthetic conditions, [Ba(LO)2(H2O)6]·2H2O crystallizes in the form of several polymorphic modifications differing in the angles between the planes of LO radicals bound to the Ba ion. Quantum chemical analysis revealed that the presence of the N-oxide fragment in LO leads to a noticeable redistribution of the spin density in comparison with L. The calculated map of the distribution of exchange integrals at different relative displacements in pairs of LO allows us to give a qualitative insight into the magnetic behavior of anion radical stacks.

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Synergetic Explosive Performance through Cocrystallization

Cited by 13 publications

References 28 publications

Reducing the Electron Delocalization of FOX-7 toward a Thermally Stable Explosive as a Hexanitrosilbene (HNS) Replacement

Reducing the Electron Delocalization of FOX-7 toward a Thermally Stable Explosive as a Hexanitrosilbene (HNS) Replacement

Recent Progress on Synthesis, Characterization, and Performance of Energetic Cocrystals: A Review

Paramagnetic Salts of Ca, Ba, and Pb with Difurazanopyrazine and Difurazanopyrazine-N-oxide Radical Anions

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