Affiliations: College of Materials Science and Engineering, Chongqing University, Chongqing, China | State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing, China | College of Chemistry and Chemical Engineering, Yangtze Normal University, Chongqing, China | The 42nd Institute of the Fourth Academy of CASC, XiangYang, China
Note: [] Corresponding author: Tong-Lai Zhang, State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, China. E-mail: [email protected]
Note: [] Corresponding author: Sheng-Tao Zhang, College of Materials Science and Engineering, Chongqing University, Chongqing 400030, China. E-mail: [email protected]
Abstract: A new energetic Ba(II) coordination polymer [Ba(tza)2]n (where tza = tetrazole-1-acetic acid anion) was synthesized and characterized by X-ray single crystal diffraction, elemental analysis and IR spectroscopy. In the molecule, the central Ba(II) cation was coordinated by eight carboxylic O atoms from six different tza ions. Quadridentate tza anion bridged three various Ba(II) atoms and formed a 2D supramolecular network. Differential scanning calorimetry (DSC) and thermogravimetric - differential thermogravimetric (TG - DTG) analyses were applied to assess the thermal decomposition behavior. The kinetic parameters were obtained by non-isothermal reaction kinetics, and the Arrhenius equation can be expressed as lnk = 22.47 – 291 × 103/RT. Critical temperature of thermal explosion, thermodynamic parameters, energy of combustion, enthalpy of formation and sensitivities of [Ba(tza)2]n were measured or calculated to argue that as a potential energetic material.
