An Advanced Heat-Resistant Explosive through Regional Isomerization and Intramolecular Integration

Abstract

Among all compounds constructed by intramolecular integration, 4 (T_d = 321 °C, D = 8799 m s^–1, IS = 35 J) that integrates ortho amino nitro group and tetrazole framework possesses a much better comprehensive performance than most widely used heat-resistant explosive HNS (T_d = 318 °C, D = 7612 m s^–1, IS = 5 J), which suggest that it might be a candidate for advanced heat-resistant explosive. Compared with 8, isomer 4 shows significant improvement in density, thermal stability and sensitivity, which may be caused by the relatively strong structural aromaticity, hydrogen bond and large face-to-face π–π interaction surfaces strength.