In the present work, six novel high energy materials (HEMs) were investigated by femtosecond and nanosecond LIBS techniques with an intention to comprehend the influence of different functional groups as well as their positions on the LIBS emission.

A workable cost-efficient synthetic method for the construction of nitro substituted tetrazole-N-aryl/heteroaryl derivatives is discussed.

A series of dense and energetic polynitroaryl-1,2,4-triazoles were synthesized through the nitration of aryl-1,2,4-triazoles. The Cu-catalyzed/base-mediated coupling reactions of haloarenes with 1,2,4-triazoles delivered N-aryl-1,2,4-triazoles. These new nitro-rich-aryltriazoles were characterized by analytical and spectroscopic methods. The solid-state structures of most of these compounds were established by X-ray diffraction analysis. Their thermal properties were determined by differential scanning calorimetry-thermogravimetric analysis. Their heats of formation (HOFs) and crystal densities were also calculated. The densities of the synthesized compounds ranged from 1.40 to 1.85 g cm(-3). Some of these newly synthesized compounds exhibited high positive HOFs, good thermal stabilities, high densities, and reasonable detonation velocities and pressures.

A wide array of methoxy-substituted-polynitro-aryl-pyrazole/imidazoles with readily oxidizable −NH 2 /NO 2 / NHNO 2 /diazo functional groups is synthesized. Single crystal X-ray diffraction (XRD) analysis confirms the molecular structure of the compounds. Energetic properties of the synthesized compounds are determined by theoretical and experimental studies. Most of the compounds are thermally stable and insensitive to impact and friction. Some of the molecules possess better detonation velocity and detonation pressure over TNT.

Synthesis of a green gem-trinitromethyl-substituted high density energetic-oxidizer 3,6-dinitro-1,4-bis(trinitromethyl)-1,4-dihydropyrazolo[4,3-c]pyrazole with a potential to replace the presently utilized oxidizer ammonium perchlorate is reported.