Green Energetic Nitrogen-Rich Salts of 1,1'-Dinitramino-5,5'-bistetrazolate

Piao He; Le Wu; Jinting Wu; Qianyou Wang; Zhimin Li; Michael Gozin; Jianguo Zhang

doi:10.1002/chem.201702759

Green Energetic Nitrogen-Rich Salts of 1,1'-Dinitramino-5,5'-bistetrazolate

Chemistry. 2017 Aug 16;23(46):11159-11168. doi: 10.1002/chem.201702759. Epub 2017 Jul 26.

Authors

Piao He¹, Le Wu¹, Jinting Wu¹, Qianyou Wang¹, Zhimin Li², Michael Gozin³, Jianguo Zhang¹

Affiliations

¹ State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing, 100081, P. R. China.
² Department of Chemical and Biomolecular Engineering, The Hong Kong University of Science and Technology, Hong Kong, P. R. China.
³ School of Chemistry, Faculty of Exact Science, Tel Aviv University, Tel Aviv, 69978, Israel.

PMID: 28664635
DOI: 10.1002/chem.201702759

Abstract

A series of nitrogen-rich energetic salts of 1,1'-dinitramino-5,5'-bistetrazolate (DNABT) guanidinium (1), aminoguanidinium (2), diaminoguanidinium (3), triaminoguanidinium (4), diaminouronium (5), 3,4-diamino-1,2,4-triazolium (6), and ethylenediammonium (7) was synthesized by a metathesis strategy and characterized by elemental analysis, mass spectrometry, and IR spectroscopy as well as single-crystal X-ray diffraction and differential scanning calorimetry (DSC). The natural bond orbitals (NBOs) and electrostatic potentials (ESPs) were further computed for a better understanding of the structures of the DNABT molecule. The heats of formation were calculated based on the Born-Haber energy cycle. The detonation parameters were evaluated by using the EXPLO5 program, and the sensitivities were measured according to BAM standers. These new salts exhibit highly positive heats of formation (407.0-1377.9 kJ mol^-1 ) and good thermal stabilities (180-211 °C). Most of these compounds possess detonation velocities comparable to RDX and acceptable detonation pressures. The high volumes of explosion gases of the salts 3 and 4 (921 and 933 L kg^-1 , respectively) further support their power as explosives. The enhancing performances, the fact of being free of metals, and the more moderate sensitivities than K₂ DNABT, suggest that the salts 4 (D=8851 m s^-1 , P=29.0 GPa), 5 (D=9053 m s^-1 , P=32.3 GPa), and 6 (D=8835 m s^-1 , P=30.2 GPa) might be potential environmentally friendly energetic materials.

Keywords: 1,1′-dinitramino-5,5′-bistetrazoles; detonation performances; explosives; nitrogen-rich salt; sensitivities.