TY - JOUR
T1 - Preparation, crystal structure, thermal decomposition and explosive properties of the novel compound [Mg(H2O)6](ATZ) 2(PA)2 (ATZ = 4-Amino-1,2,4-triazole and PA = Picrate)
AU - Wu, Bi Dong
AU - Zhang, Tong Lai
AU - Li, Yu Lu
AU - Zhou, Zun Ning
AU - Yang, Li
AU - Zhang, Jian Guo
PY - 2013
Y1 - 2013
N2 - The novel coordination compound of [Mg(H2O)6](ATZ) 2(PA)2 (1) was synthesized by using 4-amino-1,2,4-triazole (ATZ) and picrate (PA) and characterized by elemental analysis and FT-IR spectrum. The crystal structure was determined by X-ray single crystal diffraction and the crystallographic data showed the crystal belong to triclinic, pertains to P-1 space group, α = 6.980(4)Å, b = 7.047(4)Å, c = 15.603(10)Å, α = 83.84(2)°, β = 81.99(1)° and γ = 82.66(2)°. The Mg(II) ion is six-coordinated with six oxygen atoms from crystal water molecules and exhibits distorted-octahedral configuration. Furthermore, thermal analysis indicated a melting point peak at 133.5°C, and then three main exothermic processes occurred as shown in the differential scanning calorimeter (DSC) curve corresponding to thermogravimetry-derivative thermogravimetry (TG-DTG) curves. The kinetic parameters of the first exothermic process were studied by using Kissinger's method and Ozawa's method. The enthalpy of formation, critical temperature of thermal explosion, entropy of activation (ΔS ≠), enthalpy of activation (ΔH≠), and free energy of activation (ΔG≠) were calculated and obtained as -3172.15 kJ·mol-1, 506.92 K, -160.36 kJ·mol -1, 134.91 J·(·Kmol)-1 and 213.73 kJ·mol-1, respectively. The flame and impact sensitivities measuring results showed the 50% firing heights were 9.6 cm and 78.5 cm ( = 38.5 J), respectively.
AB - The novel coordination compound of [Mg(H2O)6](ATZ) 2(PA)2 (1) was synthesized by using 4-amino-1,2,4-triazole (ATZ) and picrate (PA) and characterized by elemental analysis and FT-IR spectrum. The crystal structure was determined by X-ray single crystal diffraction and the crystallographic data showed the crystal belong to triclinic, pertains to P-1 space group, α = 6.980(4)Å, b = 7.047(4)Å, c = 15.603(10)Å, α = 83.84(2)°, β = 81.99(1)° and γ = 82.66(2)°. The Mg(II) ion is six-coordinated with six oxygen atoms from crystal water molecules and exhibits distorted-octahedral configuration. Furthermore, thermal analysis indicated a melting point peak at 133.5°C, and then three main exothermic processes occurred as shown in the differential scanning calorimeter (DSC) curve corresponding to thermogravimetry-derivative thermogravimetry (TG-DTG) curves. The kinetic parameters of the first exothermic process were studied by using Kissinger's method and Ozawa's method. The enthalpy of formation, critical temperature of thermal explosion, entropy of activation (ΔS ≠), enthalpy of activation (ΔH≠), and free energy of activation (ΔG≠) were calculated and obtained as -3172.15 kJ·mol-1, 506.92 K, -160.36 kJ·mol -1, 134.91 J·(·Kmol)-1 and 213.73 kJ·mol-1, respectively. The flame and impact sensitivities measuring results showed the 50% firing heights were 9.6 cm and 78.5 cm ( = 38.5 J), respectively.
KW - Magnesium(II)
KW - crystal structure
KW - explosive properties
KW - picrate
KW - thermal analysis
UR - http://www.scopus.com/inward/record.url?scp=84884143468&partnerID=8YFLogxK
U2 - 10.3233/MGC-130098
DO - 10.3233/MGC-130098
M3 - Article
AN - SCOPUS:84884143468
SN - 1024-1221
VL - 12
SP - 185
EP - 195
JO - Main Group Chemistry
JF - Main Group Chemistry
IS - 3
ER -