π–π Stacking Contributing to the Low or Reduced Impact Sensitivity of Energetic Materials

Crystal Growth & Design, Journal Year: 2020, Volume and Issue: 20(5), P. 2824 - 2841

Published: April 15, 2020

π–π stacking, usually together with the aid of hydrogen bonding (HB), serves as a main characteristic low impact, sensitive, highly energetic materials (LSHEMs), which are desired for application, and attracts considerable attention in designing synthesizing new EMs. This Perspective highlights progress insights into stacking EMs, covering traditional crystals homogeneous neutral molecules, cocrystals (ECCs), ionic salts (EISs). A rather large π-bond is requisite can be classified four patterns, including face-to-face wavelike crossing mixing an increasing difficulty shear sliding, HB plays important role supporting sliding layers. Straightforwardly, pattern–impact sensitivity relationship rooted steric hindrance when preferred to design LSHEMs at crystal level, due least or lowest barrier among patterns. has been extensively observed ECCs, EISs, enlightening us make rule EMs such stacking. However, it still difficult rule, attributed unclear between molecular structures. Maybe, will become increasingly feasible achieve by establishing database detailed information on molecules related amount data collecting experimental predicted results, combining advanced machine learning technologies. Combining this article recent review (Cryst. Growth Des. 2019, 19 (10), 5981–5997), overall perspective intermolecular interactions C, H, O, N atoms could have presented.

Language: Английский

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Pursuing reliable thermal analysis techniques for energetic materials: decomposition kinetics and thermal stability of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate (TKX-50)

Physical Chemistry Chemical Physics, Journal Year: 2016, Volume and Issue: 19(1), P. 436 - 449

Published: Nov. 10, 2016

Thermal decomposition of a novel promising high-performance explosive dihydroxylammonium 5,5'-bistetrazole-1,1'-diolate (TKX-50) was studied using number thermal analysis techniques (thermogravimetry, differential scanning calorimetry, and accelerating rate ARC). To obtain more comprehensive insight into the kinetics mechanism TKX-50 decomposition, variety complementary thermoanalytical experiments were performed under various conditions. Non-isothermal isothermal obtained at both atmospheric low (up to 0.3 Torr) pressures. The gas products thermolysis detected in situ IR spectroscopy, structure solid-state determined by X-ray diffraction electron microscopy. Diammonium (ABTOX) directly identified be most important intermediate process. role bistetrazole diol (BTO) also rationalized with mixtures BTO. Several widely used data processing (Kissinger, isoconversional, formal kinetic approaches, etc.) independently benchmarked against ARC data, which are germane real storage application conditions energetic materials. Our study revealed that none Arrhenius parameters reported before can properly describe complex two-stage process TKX-50. In contrast, we showed superior performance isoconversional methods combined measurements, yielded reliable thermolysis. contrast existing reports, stability lower than hexogen, but close hexanitrohexaazaisowurtzitane (CL-20).

Language: Английский

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Study of H2AzTO-based energetic metal-organic frameworks for catalyzing the thermal decomposition of ammonium perchlorate

Chemical Engineering Journal, Journal Year: 2020, Volume and Issue: 404, P. 126287 - 126287

Published: July 21, 2020

Language: Английский

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

Chemistry - A European Journal, Journal Year: 2016, Volume and Issue: 23(8), P. 1743 - 1747

Published: Nov. 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.

Language: Английский

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5,6-Fused bicyclic tetrazolo-pyridazine energetic materials

Chemical Communications, Journal Year: 2020, Volume and Issue: 56(10), P. 1493 - 1496

Published: Jan. 1, 2020

Two 5,6-fused tetrazolo-pyridazine compounds were synthesized and characterized, which exhibited high thermal stability, excellent energetic properties low mechanical sensitivity.

Language: Английский

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