Synthesis and Characterization of 3‐(5‐(Fluorodinitromethyl)‐1H‐1,2,4‐triazol‐3‐yl)‐4‐nitrofurazan: A Novel Promising Energetic Component of Boron‐based Fuels for Rocket Ramjet Engines

Abstract

The synthesis of a new energetic 1,2,4‐triazole compound bearing nitrofurazanyl and fluorodinitromethyl units, which may find use as a component for rocket ramjet engines (RRE), is described. The target product was prepared in a four‐step process applying oxidation/nitration/decarboxylation/fluorination reactions and is fully characterized. Its density and structural features were uniquely determined by X‐ray analysis. It is shown that replacing HMX with the compound of this study in boron‐based fuels gives an increase in energy.

Synthesis of 3-Aryl-ortho-carboranes with Sensitive Functional Groups

“…A search for the bond critical points (using the AIMALL program [ 77 ]) revealed the presence of two intramolecular attractive interactions between the carborane cage and the aryl substituent for both local and global minima ( Figure 3 ). The energies of the observed noncovalent interactions were estimated using the empirical correlation between interaction energy and potential energy density at the bond critical point ( E = 1/2 V ( r )) [ 78 ], which is frequently utilized for energetic analysis [ 73 , 79 , 80 ].…”

The First Nickelacarborane with closo-nido Structure

“…To assess their possible contribution to the stabilization of the observed conformation of complex 2, we carried out its QTAIM (quantum theory of atoms in molecules) study [26,27]. Energy of intramolecular noncovalent interactions was estimated based on their correlation with the energy density function [28] that was found to be reliable for different types of weak noncovalent interactions [29][30][31]. Two CH• • • HB noncovalent contacts (shown in Figure 1) were observed (B5'-H5'• • • H3A-C3, 2.40Å, −2.4 kcal/mol; B8-H8• • • H7A-C7, 2.31Å, −2.6 kcal/mol).…”

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

“…In recent decade, synthesis of organic energetic materials is often performed through a combination of various polynitrogen and nitrogen-oxygen heterocyclic scaffolds: tetrazole-furazan ( Liang et al, 2012 ; Huang et al, 2012 ; Liang et al, 2013 ), tetrazole-furoxan ( Fershtat et al, 2015a ; Larin et al, 2019 ), 1,2,4-triazole-furazan ( Xu et al, 2018 ; Ma et al, 2019a ; Ma et al, 2019b ; Sheremetev et al, 2019 ; Aleksandrova et al, 2020 ; Ma et al, 2020 ; Chinnam et al, 2021 ), tetrazole-furoxan-1,2,4-oxadiazole ( Liu et al, 2018 ) ( Figure 1 ). A combination of structurally diversed nitrogen-rich heterocycles linked via N , N ′-ethylene bridges was also reported as one of the promising approaches to balance energetic properties of the resulted energy-rich materials ( Kumar et al, 2016a ; Kumar et al, 2016b ).…”