1,5-diamino-4-methyltetrazolium 5-nitrotetrazolate - Synthesis, testing and scale-up

作者：Klapoetke Thomas M; Sabate Carles Miro; Welch Jan M

来源：Zeitschrift fur Anorganische und Allgemeine Chemie, 2008, 634(5): 857-866.

DOI：10.1002/zaac.200700539

• aminotetrazole
• crystal structures
• detonation parameters
• explosives
• nitrotetrazole

1,5-Diamino-4-methyltetraizolium 5-nitrotetrazolate (2b) was synthesized in high yield from 1,5-diamino-4-methyltetrazolium iodide (2a) and highly sensitive silver 5-nitrotetrazolate (AgNT). A safer synthesis, suitable for scale-up, is introduced involving reaction of the previously unreported 1-amino-5-imino-4-methyltetrazole free base (2) with ammonium 5-nitrotetrazolate. Both new compounds (2 and 2b) were fully characterized using vibrational (IR and Raman) and multinuclear NMR spectroscopy (H-1, C-13, N-14, N-15), elemental analysis and single crystal X-ray diffraction. The hydrogen-bonding networks of both materials are described in terms of their graph-sets. Compound 2b is hydrolytically stable with a high melting point and concomitant decomposition at 160 degrees C. The sensitivity of the energetic salt 2b towards impact (> 30 J) and friction (> 360 N) was tested. The constant volume energy of combustion (A,U) of 2b was measured experimentally using bomb calorimetry. In addition, the detonation parameters (detonation pressure and velocity) of the nitrotetrazolate salt were calculated from the energy of formation, the crystal density and the molecular formula using the EXPLO5 computer code (P=15.5 . GPa, D = 6749 m s (- 1)) and are similar to that of TNT and nitroguanidine making 2b of prospective interest in propellant charge formulations or, in combination with a suitable oxidizer, as a solid propellant.

• 出版日期2008