Synthesis, structural investigation, thermal decomposition mechanism and sensitivity properties of an energetic compound [Cd(DAT)(6)](ClO(4))(2) (DAT=1,5-diaminotetrazole)

J Hazard Mater. 2008 Dec 15;160(1):45-50. doi: 10.1016/j.jhazmat.2008.02.078. Epub 2008 Feb 29.

Abstract

An energetic coordination compound [Cd(DAT)(6)](ClO(4))(2) has been synthesized by using 1,5-diaminotetrazole (DAT) as ligand and its structure has been characterized by applying X-ray single crystal diffraction, elemental analysis and FT-IR spectroscopy. The central cadmium(II) cation is coordinated by six N atoms from six DAT molecules to form a six-coordinated and distorted octahedral structure. Di-dimension layer structure was formed and the layers were linked together by the extensive intermolecular hydrogen bonds between DAT ligands and ClO(4)(-) anions. Thermal decomposition mechanism of the title compound was predicted based on DSC, TG-DTG and FT-IR analyses results. The kinetic parameters of the first exothermic process of the title compound were studied by applying the Kissinger's and Ozawa-Doyle's methods. Sensitivity tests reveal that the title compound has sensitive nature.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Calorimetry, Differential Scanning
  • Explosive Agents / chemical synthesis*
  • Explosive Agents / chemistry*
  • Hydrogen Bonding
  • Indicators and Reagents
  • Ligands
  • Models, Molecular
  • Organometallic Compounds / chemical synthesis*
  • Organometallic Compounds / chemistry*
  • Perchlorates / chemistry
  • Solvents
  • Spectrophotometry, Infrared
  • Spectroscopy, Fourier Transform Infrared
  • Thermodynamics
  • X-Ray Diffraction

Substances

  • Explosive Agents
  • Indicators and Reagents
  • Ligands
  • Organometallic Compounds
  • Perchlorates
  • Solvents
  • hexakis(1,5-diaminotetrazole)cadmium(II)