Unusual Energetic Periodate, Sulfate and Amino‐bistetrazolate Salts of the Trinitropropylammonium Cation

Abstract

Starting from a nucleophilic Michael addition of nitroform to acrylamide, three synthetic strategies towards 1,1,1-trinitropropyl-1-ammonium salts are described. Due to the high oxygen content and density of one periodate salt, its suitability as high-energy dense oxidizer in energetic formulations was predicted according to its specific impulse and detonation velocity. Furthermore, those properties were compared to the nitrogen-rich amino-bis(5-tetrazolate) salt. The parameters were calculated with the EXPLO5 (V6.03) computer code * Prof. Dr. T. M. Klapötke

Superior High-Energy-Density Biocidal Agent Achieved with a 3D Metal–Organic Framework

“…With an experimental density of 3.11 g cm –3 at room temperature and heat of formation in hand, the detonation velocity of MOF (2) was calculated by Cheetah 8.0 to be 7271 ms –1 , which is the highest detonation velocity among all reported iodine-containing compounds and superior to that of TNT (6881 m –1 ), and its detonation pressure is 40.61 Gpa, exceeding that of HMX (39.50 Gpa). This is higher than those of all reported detonation pressure values of iodine-containing compounds. − The surprisingly elevated detonation properties of MOF (2) are the result of an ideal combination of high heat of formation, high density, and excellent oxygen balance, which could disperse the explosion products over a larger area.…”

“…However, since it sublimes readily, elemental iodine itself is not useful as an antibiological agent. Until recently, the emergence of iodine-containing energetic compounds, which can kill harmful microorganisms by releasing I 2 upon initiation, was a milestone for both energetic materials and antibiological agents. − These compounds not only improved the biocidal efficiency but also precluded the sublimation of iodine in the antibiological agents. Nevertheless, the drawbacks of the current iodine-containing energetic agents are notable.…”

“…Nevertheless, the drawbacks of the current iodine-containing energetic agents are notable. (1) The detonation performances of all of the reported iodine-containing compounds are low {only one compound, 3,3,3-trinitropropyl-1-ammonium periodate is higher than that of TNT (2,4,6-trinitrotoluene)}, while its iodine content is only 32.9%, and its decomposition temperature is only 138 °C, which is unsuitable for a biocidal agent. (2) The energy level of most iodine-containing compounds is too low to allow ignition, and the mixture of iodine-containing agents with explosives complicates the process of energetic iodine-containing agents and may likely result in accidents.…”

“…Nevertheless, the drawbacks of the current iodine-containing energetic agents are notable. (1) The detonation performances of all of the reported iodine-containing compounds are low {only one compound, 3,3,3-trinitropropyl-1-ammonium periodate is higher than that of TNT (2,4,6-trinitrotoluene)}, while its iodine content is only 32.9%, and its decomposition temperature is only 138 °C, 27 which is unsuitable for a biocidal agent.…”

Synthesis, Crystal Structure and Catalytic Performance of a novel Five‐Coordinated Energetic Copper(II) Compound

“…Combined with the above physicochemical data, the predicted detonation parameters calculated by EXPLO5 are shown in the Table 2 below. [23,24] From the above data, it can be seen that the N content of complex 1 is second only to 4, indicating that it has a certain degree of potential value as an energetic complex. Because 1 has a lower decomposition temperature, it suggests that 1 may have a breathtaking application value in catalysis and the impact sensitivity in the above table also shows that 1 has pretty good stability.…”