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

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 (H-1, C-13, N-14) and vibrational spectroscopy. The molecular structures were elucidated by single-crystal X-ray diffraction. ADNQ crystallizes in the monoclinic space group P2(1)/c with a crystal density of rho = 1.735 g.cm(-3), APX in the orthorhombic space group Pbnc with a crystal density of rho = 1.911 g.cm(-3). ADNQ decomposes at 197 degrees C, APX at 174 degrees 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 >= Si, 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 (V-det = 9066 m.s(-1), PC-J = 332 kbar, Q(v) = -5193 kJ.kg(-1)), APX (V-det = 9540 m.s(-1), p(C-J) = 395 kbar, Q(v) = -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).