Issue 15, 2010

Energetic 1,5-diamino-4H-tetrazoliumnitro-substituted azolates

Abstract

1,5-Diaminotetrazole (DAT) is a fascinating component in the construction of high-energy-density materials because of its extremely high nitrogen content (∼84%). Three DAT nitro-substituted azolate salts were synthesized and fully characterized by IR, NMR, elemental analysis, thermal stability, phase behavior, and density. 1,5-Diamino-4H-tetrazolium 5-nitrotetrazolate salt (2) crystallizes in the orthorhombic system Pbca. The detonation pressure (P) values calculated for these salts range from 28.05 to 29.88 GPa, and the detonation velocities (D) from 8343 to 8655 m s−1, which make them competitive energetic materials. Each of the compounds has an oxygen balance approaching zero (−23.8 to −33.5%). Their impact sensitivities were determined. The salts were compared using natural bond orbital (NBO) analysis of the nitro-substituted azolate anions. These CHNO-explosives, DAT nitro-substituted azolate salts, are potential green energetic materials which are obtained via a straightforward synthetic route.

Graphical abstract: Energetic 1,5-diamino-4H-tetrazolium nitro-substituted azolates

Supplementary files

Article information

Article type
Paper
Submitted
02 Dec 2009
Accepted
22 Jan 2010
First published
22 Feb 2010

J. Mater. Chem., 2010,20, 2999-3005

Energetic 1,5-diamino-4H-tetrazolium nitro-substituted azolates

G. Tao, Y. Guo, D. A. Parrish and J. M. Shreeve, J. Mater. Chem., 2010, 20, 2999 DOI: 10.1039/B925267C

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