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Two outstanding explosives based on 1,2-dinitroguanidine: ammonium-dinitroguanidine and 1,7-Diamino-1,7-dinitrimino-2,4,6-trinitro-2,4,6- triazaheptane www.zaac.wiley-vch.de
Altenburg, Thomas,Klapoetke, Thomas M.,Penger, Alexander,Stierstorfer, Joerg
experimental part, p. 463 - 471 (2010/07/05)
Ammonium-dinitroguanidine (ADNQ) and 1,7-diamino-1,7-dinitrimino-2,4,6- trinitro-2,4,6-triazaheptane (APX) have been synthesized in high yield and purity. Both compounds were characterized by multinuclear NMR (1H, 13C, 14N) and vibrational spectroscopy. The molecular structures were elucidated by single-crystal X-ray diffraction. ADNQ crystallizes in the monoclinic space group P21/c with a crystal density of ρ = 1.735 g ·cm-3, APX in the orthorhombic space group Pbnc with a crystal density of ρ = 1.911 g ·cm -3 ADNQ decomposes at 197°C, APX at 174°C. Impact (IS), friction (FS) and electrostatic discharge (ESD) sensitivities were determined experimentally for both compounds. (ADNQ: IS ≥ 10 J, FS ≥ 252 N and ESD ≥ 0.4 J, APX: IS ≥ 3 J, FS ≥ 80 N and ESD ≥ 0.1 J). Polymer bonded mixtures of APX with 5 % PVAA resin proved, to be less sensitive towards mechanical stimuli (IS ≥ 5J, FS = 160 N). The detonation parameters (EXPLO5 code) were calculated using combined quantum chemical (CBS-4M) methods and a chemical equilibrium calculation based on the steady-state model of detonation: ADNQ ( Vdet = 9066 m·s-1, pC-J = 332 kbar, Qv = -5193 kJ·kg-1), APX (Vdet = 9540 m·s-1, pC-J = 395 kbar, Qv = -5935 kJ·kg-1). The experimentally determined detonation velocity (fibre optic technique) agrees well with the theoretical values, indicating that APX shows better detonation performance than HMX (1,3,5,7-Tetranitro-1,3,5,7- tetraazoctane).