Synthesis, structure, and thermal decomposition of two copper coordination compounds [Cu(DAT) 2 (PA) 2 ] and [Cu(DAT) 2 (HTNR) 2 ] with nitrogen rich 1,5-diaminotetrazole (DAT).

Both [Cu(DAT)2(PA)2] (1) and [Cu(DAT)2(HTNR)2] (2) were prepared from 1,5-diaminotetrazole (DAT) and copper trinitrophenol,1for picrate (PA) and2for styphnate acid (2,4,6-trinitro resorcinol, TNR), and were characterized by elemental analysis, FT-IR spectroscopy, and single crystal X-ray diffraction. The space group of these compounds isP21/c(monoclinic). The lattice parameters are similar [a = 11.405(3) Å,b = 14.867(3) Å,c = 8.099(2) Å for1anda = 12.262(3) Å,b = 14.900(3) Å,c = 7.243(2) Å for2], except theβ = 106.257(3)° in1andβ = 92.989(4)° in2. Both have extended structures due to hydrogen bonds, but there are some differences because of the ligands induced effect. Differential scanning calorimetry analysis shows that two exothermic processes take place in both complexes, the first peak temperatures are 488.2 K for1and 519.2 K for2. The kinetic parameters of the first exothermic process were studied by using Kissinger’s method and Ozawa’s method, in which the enthalpy of formation (−7346 and −5706 kJ M−1), critical temperature of thermal explosion (475.0 and 515.8 K), entropy of activation (ΔS≠), enthalpy of activation (ΔH≠), and free energy of activation (ΔG≠) were calculated and obtained as −117.25 J K−1 M−1, 140.64 kJ M−1, 196.44 kJ M−1and −219.1 J K−1 M−1, 383.56 kJ M−1, 495.34 kJ M−1for1and2, respectively. The sensitivity test results showed that both compounds were sensitive to impact (<5 J) and flame (>20 cm) rather than friction. Two similar complexes combined with 1,5-diaminotetrazole (DAT) and copper trinitrophenol were characterized by elemental analysis, FT-IR spectroscopy and single crystal X-ray diffraction and the sensitivity were studied. [ABSTRACT FROM AUTHOR]