Abstract
A variety of phenylene-bridged isoxazole and tetrazole-1-ol based green energetic materials was synthesized, for the first time, in good to excellent yields. The structures of the newly synthesized compounds were confirmed by spectroscopic techniques, elemental analysis, and single-crystal X-ray analysis. The value of the present work is that all newly synthesized compounds have good thermal stabilities ranging between 167-340 °C and acceptable densities between 1.51 g cm
to 1.82 g cm
. Detailed computational insight into the energetic properties of the new compounds shows that they have good energetic properties (propulsive and ballistic) with excellent thermal and mechanical stabilities which makes them promising candidates for solid propulsion systems. Compounds 5, 12 and 14 are the superior candidates as melt-castable energetic materials.