A promising high-energy-density material

Nature Communications, Год журнала: 2017, Номер 8(1)

Опубликована: Июль 27, 2017

High-energy density materials represent a significant class of advanced and have been the focus energetic community. The main challenge in this field is to design synthesize compounds with highest possible maximum chemical stability. Here we show an compound, [2,2'-bi(1,3,4-oxadiazole)]-5,5'-dinitramide, synthesized through two-step reaction from commercially available reagents. It exhibits surprisingly high (1.99 g cm-3 at 298 K), poor solubility water most organic solvents, decent thermal stability, positive heat formation excellent detonation properties. solid-state structural features compound are also investigated via X-ray diffraction several theoretical techniques. sensitivity properties explosive similar those 2, 4, 6, 8, 10, 12-(hexanitrohexaaza)cyclododecane (CL-20), developed shows great promise for potential applications as high-energy material.High energy interest, but limiting factor many compounds. authors between that exhibit good stability

Язык: Английский

---

Recent synthetic efforts towards high energy density materials: How to design high-performance energetic structures?

FirePhysChem, Год журнала: 2021, Номер 2(2), С. 83 - 139

Опубликована: Окт. 1, 2021

Energetic material is a very essential company of compounds, widely used in various fields, primarily the military industry and space technologies. These compounds are unique that they capable instantly decomposing to release enormous energy. The chemical diversity energetic organic constantly increasing through combination high-nitrogen frameworks explosophoric groups, which follows overall trend interest their chemistry applications. scientific community looking for more powerful less sensitive external impulses both civilian use. Herein, detailed overview regarding classic novel groups frameworks, as well description selected synthesis target has been given time period since 2010. physical properties performances benchmark prospective also collected.

Язык: Английский

---

Zwitterionic fused pyrazolo-triazole based high performing energetic materials

Chemical Communications, Год журнала: 2024, Номер 60(12), С. 1646 - 1649

Опубликована: Янв. 1, 2024

A series of nitrogen-rich fused energetic materials were synthesized from commercially available inexpensive starting and fully characterized using 1 H 13 C NMR, IR spectroscopy, elemental analysis, DSC.

Язык: Английский

---

Synthesis of AgN5 and its extended 3D energetic framework

Nature Communications, Год журнала: 2018, Номер 9(1)

Опубликована: Март 28, 2018

Abstract The pentazolate anion, as a polynitrogen species, holds great promise high-energy density material for explosive or propulsion applications. Designing pentazole complexes that contain minimal non-energetic components is desirable in order to increase the material’s energy density. Here, we report solvent-free complex, AgN 5 , and 3D energetic-framework, [Ag(NH 3 ) 2 ] + [Ag (N 4 ]ˉ, constructed from silver cyclo-N ˉ. are stable up 90 °C only Ag N observed final decomposition products. Efforts isolate pure were unsuccessful due partial photolytical and/or thermal-decomposition . Convincing evidence formation of original reaction product presented. isolation cyclo -N ˉ devoid stabilizing molecules ions, such H O, O NH constitutes major advance chemistry.

Язык: Английский

---

Time for pairing: cocrystals as advanced energetic materials

CrystEngComm, Год журнала: 2016, Номер 18(33), С. 6124 - 6133

Опубликована: Янв. 1, 2016

Energetic materials that can store and rapidly release large amounts of chemical energy on demand play a vital role in both military civilian fields. Modern energetic should have high density, heat formation possess molecular stability allow them to be manufactured, stored handled safely. Recently, cocrystallization technology offers promising platform for achieve desired balance between detonation performance low sensitivity. This paper highlights recent developments cocrystals details intermolecular interactions, physical parameters properties. The major part the discussion relates different types including composed molecules solvents, 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane (CL-20)-based azole-based cocrystals, et al. In addition, resonant acoustic mixing (RAM) technique, bead milling spray flash evaporation technique are also introduced as means large-scale production nanosized cocrystals.

Язык: Английский

---

Pushing the Limits of Oxygen Balance in 1,3,4-Oxadiazoles

Journal of the American Chemical Society, Год журнала: 2017, Номер 139(26), С. 8816 - 8819

Опубликована: Июнь 19, 2017

Gem-trinitromethyl groups were introduced into a 1,3,4-oxadiazole ring to give the first example of bifunctionalized single five-membered with six nitro groups. 2,5-Bis(trinitromethyl)-1,3,4-oxadiazole (12) has high calculated crystal density 2.007 g cm-3 at 150 K (1.941 293 K) and very positive oxygen balance (39.12%), which makes it strong candidate as energy dense oxidizer. The dihydroxylammonium dihydrazinium salts bis(trinitromethyl)-1,3,4-oxadiazole (5 6) exhibit excellent detonation properties (5, vD = 9266 m s-1, P 38.9 GPa; 6, 8900 36.3 GPa) acceptable impact sensitivities 20 J, 6 19 J), are superior those RDX (7.4 J) HMX J). Such attractive features support application potential gem-polynitromethyl group in design advanced energetic materials. Surprisingly, 2,5-bis(trinitromethyl)-1,3,4-oxadiazole is more thermally stable less sensitive than its bis(dinitromethyl) analogue, 8.

Язык: Английский

---

Enforced Planar FOX-7-like Molecules: A Strategy for Thermally Stable and Insensitive π-Conjugated Energetic Materials

Journal of the American Chemical Society, Год журнала: 2020, Номер 142(15), С. 7153 - 7160

Опубликована: Март 31, 2020

Exploring new energetic derivatives of 1,1-diamino-2,2-dinitroethylene (FOX-7) is still a key aspect in the field materials. However, so far most attention has been focused on modification FOX-7 via different reaction strategies. Now we report design three FOX-7-like compounds (3-5) where one nitro group replaced by nitrogen-rich heterocyclic ring. Each them characterized single-crystal X-ray crystallography. Electronic structures are studied through computational methods comparison with FOX-7. In addition, chemical reactivity 3 was also investigated. Its hydroxylammonium (7), hydrazinium (8), and ammonium (9) salts were prepared, nitrate product (10) isolated. Compound 10 C-N bond length 1.577 Å that longest values found for C-NO2 bond. It incorporation tetrazole or triazole ring into backbone conjugated nitroenamine does lead to planar structure, which not only enhances thermal stability but improves sensitivity product.

Язык: Английский

---

An advanced and applicable heat-resistant explosive through controllable regiochemical modulation

Journal of Materials Chemistry A, Год журнала: 2020, Номер 8(45), С. 23857 - 23865

Опубликована: Янв. 1, 2020

Reducing the steric hindrance between energetic moieties through reasonable regiochemical modulation leads to an advanced heat-resistant explosive 5,5′-bis(3,5-dinitro-1H-pyrazol-4-yl)-1H,1′H-3,3′-bi(1,2,4-triazole) (BDBT-2).

Язык: Английский

---

A Highly Stable and Insensitive Fused Triazolo–Triazine Explosive (TTX)

Chemistry - A European Journal, Год журнала: 2016, Номер 23(8), С. 1743 - 1747

Опубликована: Ноя. 8, 2016

A fused-ring conjugated energetic molecule, 4-amino-3,7-dinitro-[1,2,4]triazolo[5,1-c] [1,2,4]triazine (TTX), has been synthesized in good yield a two-step process starting from the known 5-amino-3-nitro-1H-1,2,4-triazole (ANTA). Characterization of TTX shows that it possesses properties approaching those 1,3,5-trinitro-1,3,5-triazacyclohexane (RDX), but with higher thermal stability and lower sensitivity towards impact friction.

Язык: Английский

---

Bis(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)methanone: An Applicable and Very Dense Green Oxidizer

Journal of the American Chemical Society, Год журнала: 2019, Номер 141(50), С. 19581 - 19584

Опубликована: Ноя. 28, 2019

Ammonium perchlorate (AP) is most often used as a practical solid rocket propellant because of its excellent performance. However, AP has many shortcomings, including instability, high negative enthalpy formation, and claimed health environmental issues resulting from combustion products. The pursuit highly dense, high-performance, environmentally friendly oxidizers propellants long attracted scientists around the world. In this work, bis(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)methanone (3) was obtained bis(3-nitro-1H-1,2,4-triazol-5-yl)methane (1) with chloroacetone followed by nitration. structure 3 confirmed elemental analysis single-crystal X-ray diffraction. By introducing carbonyl moiety, density increased to 1.945 g/cm3 decomposition temperature 164 °C. Compound green energetic oxidizer that positive oxygen balance (+8.7%), specific impulse (218 s), an acceptable sensitivity (9 J, 240 N), making it replacement for in formulations.

Язык: Английский

---