Jump to main content
Jump to site search


Liquid-phase decomposition mechanism for bis(triaminoguanidinium) azotetrazolate (TAGzT)

Author affiliations

Abstract

This work provides new insights for the liquid-phase decomposition of bis(triaminoguanidinium) azotetrazolate (TAGzT). The liquid-phase decomposition process was investigated using a combined experimental and computational approach. Sub-milligram samples of TAGzT were heated at rates of about 2000 K s−1 to a set temperature (230 to 260 °C) where liquid-phase decomposition occurred under isothermal conditions. Fourier transform infrared (FTIR) spectroscopy and time-of-flight mass spectrometry (ToFMS) were used to acquire transmittance spectra and mass spectra of the evolved gas-phase species from the rapid thermolysis, respectively. FTIR spectroscopy was also used to acquire the transmittance spectra of the condensate and residue formed from the decomposition. N2, NH3, HCN, N2H4, triaminoguanidine and 3-azido-1,2,4-triazol-4-ide anion were identified as products of liquid-phase decomposition. Quantum chemical calculations were used for confirming the identity of the species observed in experiments and for identifying elementary chemical reactions that formed these species. Based on the calculated free energy barriers of these elementary reactions, important reaction pathways were identified for the formation of each of the product species.

Graphical abstract: Liquid-phase decomposition mechanism for bis(triaminoguanidinium) azotetrazolate (TAGzT)

Back to tab navigation

Supplementary files

Article information


Submitted
12 Jan 2020
Accepted
18 Mar 2020
First published
19 Mar 2020

Phys. Chem. Chem. Phys., 2020, Advance Article
Article type
Paper

Liquid-phase decomposition mechanism for bis(triaminoguanidinium) azotetrazolate (TAGzT)

N. R. Kumbhakarna, M. Khichar, K. J. Shah, A. Chowdhury, L. Patidar and S. T. Thynell, Phys. Chem. Chem. Phys., 2020, Advance Article , DOI: 10.1039/D0CP00183J

Social activity

Search articles by author

Spotlight

Advertisements