Synthesis and properties of salts derived from C4N182-, C4N18H3- and C4N18H3- anions

This study, demonstrates that four tetrazole (CN4) moieties can coexist by the formation of the [-N = N-] linkages to give a C4N182- anion, which possesses a high N content (84.0%). The C4N182- moiety can be reduced to a C4N18H3- anion by reaction with hydrazine. Furthermore, the addition of HCl results in a new compound (7) which can generate a C4N18H3- salt. The physico-chemical properties of the neutral compounds and their salts were investigated. These compounds were characterized and confirmed by single crystal X-ray diffraction; the structural differences among C4N182-, C4N18H3- and C4N18H3- were studied. Theoretical analysis and experiments showed that these new compounds exhibit high thermal stability (T-d: 165-202 degrees C) and high detonation velocity (D: 8750-9332 m s(-1)), which are comparable with those of 1,3,5-trinitroperhydro-1,3,5-triazine (RDX). The structure-property relationship was studied through careful investigation of the noncovalent interactions. The high energetic performance and short preparation steps endow these high-energy-density materials with great potential for practical applications.