title: Energetic oxygen-containing tetrazole salts based on 3,4-diaminotriazole.
abstract: Energetic mono- and dicationic 3,4-diaminotriazolium salts have been prepared by combining stoichiometric amounts (1:1 or 2:1 molar ratio) of 3,4-diaminotriazole with various oxygen-containing tetrazoles, and the structures have been confirmed by single-crystal XRD for the first time. All structures are dominated by a strong hydrogen-bond network owing to both amino groups and oxygen in the molecule. All salts, except 7, exhibit excellent thermal stabilities with decomposition temperatures over 200 °C. Based on experimental densities and theoretical calculations carried out by using the Gaussian 03 suite of programs, all salts have calculated detonation pressures (20.3-33.9 GPa) and velocities (7095-8642 m s(-1)).
authors.affiliation: State Key Laboratory of Explosion Science and Technology, Beijing Institution of Technology, Beijing, 100081 (P.R. China), Fax: (+86) 10-68918091.
authors.forename: Jin-Ting
authors.initials: JT
authors.lastname: Wu
authors.forename: Jian-Guo
authors.initials: JG
authors.lastname: Zhang
authors.forename: Xin
authors.initials: X
authors.lastname: Yin
authors.forename: Kun
authors.initials: K
authors.lastname: Wu
keywords: detonation performance; energetic salts; heterocycles; structure elucidation; tetrazoles