Synthesis， Structure and Detonation Performance of Triaminoguanidinium 55′-bistetrazole-11′-diolate salt

doi:10.3969/j.issn.1000-1093.2015.03.014

Abstract

Abstract: A new energetic ionic salt—triaminoguanidinium 5,5′-bistetrazole-1,1′-diolate salt is synthesized based on glyoxal and guanidine hydrochloride. The structure of triaminoguanidinium 5,5′-bistetrazole-1,1′-diolate salt is characterized by using FT-IR，¹H NMR， ¹³C{¹H} NMR spectra and elemental analyses. Its optimized structure，IR spectrum and thermodynamic parameters are obtained at the DFT-B3LYP/6-31+G^**theoretical level. Its detonation properties and thermal decomposition are also predicted by the formula of Kamlet-Jacobs. The results show that the density， heat of formation， detonation velocity and detonation pressure are 1.78 g/cm³，710 kJ/mol， 9.01 km/s and 34.88 GPa，respectively.

Key words: ordnance science and technology, energetic material, detonation property, synthesis, density functional theory

CLC Number:

TQ564

JING Su-ming, LIU Yu-cun, LIU Deng-cheng, GUO Jia-hu. Synthesis， Structure and Detonation Performance of Triaminoguanidinium 55′-bistetrazole-11′-diolate salt[J]. Acta Armamentarii, 2015, 36(3): 469-474.

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