Abstract
The title compound, 1,3-dinitramino-2-nitroxy-propane (1) was prepared in high yield (85 %) and characterized by multinuclear NMR (1H, 13C, 14N) and vibrational (IR, Raman) spectroscopy. The molecular structure in the solid state was elucidated by single crystal X-ray diffraction. 1 crystallizes in the orthorhombic space group Pnma with a crystal density of ρ = 1.798 g cm−3. Compound 1 melts at 166 °C and decomposes at 168 °C. The impact (7 J), friction (96 N) and electrostatic discharge sensitivities (0.6 J) were determined experimentally. The detonation parameters of 1 were calculated using a combined quantum chemical (CBS-4M) calculation and a chemical equilibrium calculation based on the steady-state model of detonation: Q = −5998 kJ kg−1, P = 339 kbar, D = 8895 m s−1. The experimentally determined detonation velocity (fiber optic method) agrees well with the calculated values. In comparison with picric acid (PA) and nitropenta (PETN), compound 1 shows superior detonation characteristics when detonated in a confined space.
Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
