Energetic Nitrogen Rich Salts of N,N‐bis[1(2)H‐Tetrazol‐5‐yl]amine

Abstract

Modern high-energy density materials (HEDM), where energetic nitrogen rich salts are among the most recent and exciting developments, continue to attract considerable interest. [1][2][3][4][5][6] The use of nitrogen-containing anions and cations contributes to high heats of formation and high densities arising from the large number of inherently energetic N-N and C-N bonds. Salt-based energetic materials often possess advantages over non-ionic molecules since these salts tend to exhibit lower vapor pressures and higher densities than their atomically similar non-ionic analogues.The decomposition of these compounds results predominantly in the generation of dinitrogen which makes them very promising candidates for applications requiring environmentally friendly highly energetic materials. Syntheses of these energetic salts involve the combination of unique cations and anions containing energetic functionalities. Most of the cations are based on bulky organic species with high nitrogen-containing heterocycles predominating, such as triazole, tetrazole, triazine, and tetrazine. Most frequently the anion is inorganic, such as nitrate, perchlorate, and dinitramide.

Nitrogen‐Rich Salts Based on the Energetic 5,5′‐(Hydrazine‐1,2‐diyl)bis[1H‐tetrazolide] Anion

“…Some salts of H 2 ZT have found practical application in gas generators for airbags as well as in fire-extinguishing systems [2a] [18] [19], initiators [16], or in solidrocket propellants [17]. Also recently, we reported the energetic properties of N-rich salts of H 2 ZT [20], which where complemented by recent work of Shreeve and coworkers on similar salts of BTA [21]. Metal salts of H 2 ZT and BTA have, in general, good thermal stabilities, whereas the corresponding N-rich salts are high-performing materials.…”

“…Apart from preliminary results on the synthesis and characterization [22] and thermal studies of salts of HBT [22] [23], very little is known about the potential of metal and Nrich salts containing the HBT 2À anion. With all this in mind, we decided to investigate N-rich (ammonium, hydrazinium, and guanidinium-based) salts of HBT as potential new energetic materials with high performance and low sensitivity [21] [22].…”

Nitrogen‐Rich Compounds of the Lanthanoids: Highlights and Summary

“…Herein, we present the refined structure of compound 5 and can conclude that the disordered area includes 1 24 (containing (C 2 N 10 )/2 and one additional H 2 O molecule; this studys model): C 7.1, H 3.0, N 48.0%; found: C 9.7, H 2.8, N 41.8%. Keeping in mind that only a minute amount of material (0.88 mg) was available for elemental analysis which usually suffers systematic problems described in the Exper.…”

Density Functional Theory and Isodesmic Reaction Based Prediction of Four Stepwise Protonation Constants, as log KH(n), for Nitrilotriacetic Acid. The Importance of a Kind and Protonated Form of a Reference Molecule Used

“…To date, isodesmic reaction principles (where two structurally similar compounds were used, investigated and reference molecule) have been extensively utilized in the prediction of enthalpies of formation. [76][77][78][79][80][81][82][83][84] In some cases a reference molecule has been incorporated within TCs 1,[3][4][5][6][7] to eliminate uncertainties related to either The main challenge associated with the use of IRn, however, is the selection of appropriate reference molecule. 56,80 The ligand NTA can be seen as a set of 5 molecules that differ in (i) a number of protons (from 0 to 4), and (ii) charges on the molecule (from +1 to -3).…”