Abstract
A novel cage nitramine, and potential explosive, 1,3,5,6,7-pentanitro-3,6,7-triazabicyclo-[3.1.1]-heptane (UIX) with a zero-oxygen balance was designed. It has a high crystal density (ρ = 1.978 g/cm^3), and outstanding propulsive and detonation properties (Isp(s)neat = 269.61; ρIsp(g cm^-3 s)neat = 533.29; P = 42.55 GPa, D = 9620 m/s), with good sensitivity (h50 = 9.06 cm) and promising kinetic stability as CL-20. Additionally, a synthesis route for UIX is proposed.