Thermodynamics Research Center / ThermoML | Thermochimica Acta

A study on the thermal decomposition behavior of derivatives of 1,S-diamino-IH-tetrazole (DAT): A new family of energetic heterocyclic-based salts

Fischer, G.[Gerd], Holl, G.[Gerhard], Klapotke, T. M.[Thomas M.], Weigand, I. J.[Ian J.]
Thermochim. Acta 2005, 437, 1-2, 168-178
ABSTRACT
The thermal decomposition of the highly energetic 1,5-diamino-4-methyl-IH-tetrazolium nitrate (2b), 1,5-diamino-4-methyl-IHtetrazolium dinitramide (2c) and 1,5-diamino-4-methyl-IH-tetrazolium azide (2d) were investigated by thennogravimetric analysis (TGA) and differential scanning calorimetry (DSC), Mass spectrometry and IR spectroscopy were used to identify the gaseous products, Decomposition appears in the cases of 2c and 2d to be initiated by a proton transfer to form the corresponding acid HN] and HN]04 whereas in the case of 2b a methyl group transfer to MeON02 is observed as initial process, The gaseous products after the exothermic decomposition are comparable and are in agreement of the possible decomposition pathways discussed for the corresponding compounds, For all processes, possible decomposition schemes are presented, The decomposition temperatures of 2b and 2c are significantly higher than that of 2d and were supported by evaluation the values of the activation energy according the method of Ozawa and Kissinger.
Compounds
# Formula Name
1 C2H7N9O4 1,5-diamino-4-methyl-1H-tetrazolium dinitramide
2 C2H7N9 1,5-diamino-4-methyl-4,5-dihydro-1H-tetrazol-2-ium azide
3 C2H9N7O3 1,5-diamino-4-methyl-4,5-dihydro-1H-tetrazol-1-ium nitrate
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • Mass density, kg/m3 ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • X-ray
  • 1
  • POMD
  • 2
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • X-ray
  • 1
  • POMD
  • 3
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 3
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • X-ray
  • 1