title: Triazole-substituted nitroarene derivatives: synthesis, characterization, and energetic studies.
abstract: 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.
authors.affiliation: Advanced Center of Research in High Energy Materials, University of Hyderabad, Hyderabad-500046 (India).
authors.forename: Nagarjuna
authors.initials: N
authors.lastname: Kommu
authors.forename: Vikas D
authors.initials: VD
authors.lastname: Ghule
authors.forename: A Sudheer
authors.initials: AS
authors.lastname: Kumar
authors.forename: Akhila K
authors.initials: AK
authors.lastname: Sahoo
mesh_terms: D008958:Models, Molecular; D015394:Molecular Structure; D009574:Nitro Compounds / Q000138:chemical synthesis* / Q000737:chemistry*; D014230:Triazoles / Q000737:chemistry*
chemical_list: D009574:Nitro Compounds; D014230:Triazoles
keywords: cross-coupling; detonation properties; energetic materials; heats of formation; triazoles