Synthesis, crystal structure, luminescence and thermal behavior of a new energetic zinc(II) compound

• H2btzphda (1,4-bis(tetrazol-5-yl)benzene-N2,N2′-diacetic acid) and its Zn(II) compounds were prepared.
• This compound shows intraligand luminescence.
• The high enthalpy of − 748.35 J/g of this compound makes it a potential energetic material.

An energetic material [Zn2(btzphda)2(H2O)4(dpp)2]·2DMF·4H2O with high decomposition enthalpy of − 748.35 J/g was prepared by the reaction of H2btzphda, dpp and Zn(NO3)2·6H2O under solvothermal conditions, where btzphda = 1,4-bis(tetrazol-5-yl)benzene-N2,N2′-diacetato, dpp = 1.3-di(4-pyridyl)propane and DMF = N,N′-dimethylformamide. The luminescence properties of H2btzphda and [Zn2(btzphda)2(H2O)4(dpp)2]·2DMF·4H2O were investigated at room temperature in the solid state (Hitachi F4600 spectrofluorometer). Furthermore, the thermal decomposition behavior of the compound is characterized by differential scanning calorimetry (DSC) and thermogravimetric-differential thermogravimetric (TG-DTG) analyses. The entropy of activation (ΔH), enthalpy of activation (ΔS) and the free energy of activation (ΔG) for the decomposition temperature were ΔH = 250.64 kJ/mol, ΔS = 222.75 J·mol− 1·K− 1 and ΔG = 134.10 kJ/mol.

Graphical AbstractBinuclear [Zn2(btzphda)2(H2O)4(dpp)2]·2DMF·4H2O with intraligand luminescence can be used as a potential energetic material.Figure optionsDownload as PowerPoint slide