High-Energy-Density Materials: An Amphoteric N-Rich Bis(triazole) and Salts of Its Cationic and Anionic Species

Abstract

The synthesis and characterization of the N-rich bis(triazole) compound 1 H ,4′ H -[3,3′-bis(1,2,4-triazole)]-4′,5,5′-triamine (C 4 H 7 N 9 ) with a N content of 69.6% by weight is reported. The compound exhibits a rich acid–base behavior because it can accept up to two protons, forming a monocation and a dication, and can lose one proton, forming an anion. Measurement of the acid constants has shown that there exist well-defined pH intervals in which each of the four species is predominant in solution, opening the way to their isolation and characterization by single-crystal X-ray analysis as salts with different counterions. Some energetic salts of the monocation or dication containing oxidizing inorganic counterions (dinitramide, perchlorate, and nitrate) were also prepared and characterized in the solid state for their sensitivity. In particular, the neutral compound shows a very remarkable thermal stability in air, with T d = 347 °C, and is insensitive to impact and friction. Salts of the dication with energetic counterions, in particular perchlorate and nitrate, show increased sensitivities and reduced thermal stability. The salt of the monocation with dinitramide as the counterion outperforms other dinitramide salts reported in the literature because of its higher thermal stability ( T d = 230 °C in air) and friction insensitiveness.

Comparative Thermal Research on Energetic Molecular Perovskite Structures

“…The anion (ClO 4 − ) and cations (H-OH-DABCO 2+ and H 2 DABCO 2+ ) contained in the molecular perovskites represent the oxidant component and fuel component, respectively. With the increase in the heating temperatures, the Coulomb forces weakened and the cage skeletons collapsed, which led to the redox process between the ionic components, and the formations of gaseous-phase products [29,30]. Figure 5a-c Although in-situ FTIR spectroscopy method can provide rich information of the microscopic real-time changes of the condensed-phase during the thermolysis process, it cannot provide the information of microscopic real-time changes of the gaseous-phase products, which is also significant to clarify the thermal decomposition mechanism of energetic materials.…”

Research output software for energetic materials based on observational modelling 2.1 (RoseBoom2.1©)

“…Since previous versions of RoseBoom © have already been employed in two research projects which lead to publications [24,25] -even before it was published, it has already been proven, that it very useful and that there is a big demand for a computer program for the quick and easy prediction of performance parameters. Even though, RoseBoom2.…”

Novel family of nitrogen-rich energetic (1,2,4-triazolyl) furoxan salts with balanced performance

“…However, it is known that NH-fragment of the 1,2,4-triazole ring is weakly acidic ( Garratt, 1996 ) and may stimulate corrosivity which is undesired for any potential application. Although examples on the preparation of energetic salts bearing a 1,2,4-triazolate anion are rather scarce (except NTO-based those) ( Parisi et al, 2021 ; Creegan et al, 2022 ), such strategy may serve as a convenient solution to overcome this issue. High-energy salts usually have acceptable thermal stability (>150°C) and moderate sensitivity to mechanical stimuli, while owing to the high nitrogen content these metal-free salts have a high level of environmental compatibility ( Larin et al, 2019 ; Larin and Fershtat, 2021 ).…”