Due to the acidity and the limited
applications of 3,4-dinitropyrazole
(DNP), two types of nitrogen-rich energetic cocrystals (DD1 and DD2)
based on DNP and 3,4-diaminofurazan (DAF) were synthesized. The magnificently
grown cocrystals were thoroughly examined by Fourier transform infrared
spectroscopy, powder X-ray diffraction, single-crystal X-ray diffraction,
elemental analysis, and nuclear magnetic resonance. A differential
scanning calorimetry analysis revealed that both cocrystals have different
endothermic peaks and remarkably similar exothermic peaks. Moreover,
thermogravimetric analysis demonstrates that the thermal decomposition
of DD1 and DD2 seems to be three mass loss stages. Hirshfeld surface
analysis suggests that O···H (hydrogen bonding) close
contacts contribute the most to the stabilization of DD1 and DD2.
Subsequently, the pH values of DD1 and DD2 indicate that cocrystals
reduce the acidity of DNP; additionally, the inclusion of hydrogen
peroxide can improve the oxygen balance of the cocrystal to a certain
degree. The obtained cocrystals have high nitrogen contents and acceptable
sensitivities to external stimuli (friction and impact) that prove
them as promising candidates for expanding the applications of DNP
in the field of energetic materials after overcoming an acidity problem.