TY - JOUR
T1 - Chelating energetic material nickel semicarbazide 2,4,6-trinitroresorcinol
T2 - Synthesis, structure, and thermal behavior
AU - Wang, Qian You
AU - Tong, Wen Chao
AU - Ma, Chao
AU - Zhang, Tong Lai
AU - Yang, Li
N1 - Publisher Copyright:
Copyright © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
PY - 2015/7/1
Y1 - 2015/7/1
N2 - Through a one-pot reaction of NiCO3·2Ni(OH)2·H2O, aminourea hydrochloride (SCZ·HCl) and 2,4,6-trinitroresorcinol (TNR), a halogen-free and lead-free chelating energetic material (CEM) [Ni(SCZ)3]TNR was synthesized. We confirmed the structure of [Ni(SCZ)3]TNR by infrared spectroscopy, X-ray diffraction, and elemental analysis. The complex is triclinic with P$\bar{1}$(2)/n space group. Cell parameters are: a = 1.04008(17) nm, b = 1.3719(2) nm, c = 1.4897(2) nm, V = 2.0337(6) nm3, Z = 4. The central nickel atom is six-coordinate with three oxygen atoms of carbonyl groups and three terminal nitrogen atoms of the hydrazine groups from three SCZs to form a distorted octahedron. Differential scanning calorimetry and analysis applied to assess the thermal decomposition behavior. The DSC curve with a linear heating rate of 10 °C·min-1 shows that [Ni(SCZ)3]TNR is thermally stable with one exothermic peak temperatures of 78.8 °C and two exothermic peak temperatures of 216.8 °C and 308.1 °C. The kinetic parameters were obtained by non-isothermal reaction kinetics. The equation can be expressed as lnk = 24.49-243.3 × 103/RT. Moreover, the values of the critical temperature of thermal explosion, ΔS≠, ΔH≠, ΔG≠, and the enthalpies of formation were obtained as 206.5 °C, -145.543 J·mol-1·K-1, 237.18 kJ·mol-1, 305.84 kJ·mol-1, and -2.65 MJ·kg-1, respectively.
AB - Through a one-pot reaction of NiCO3·2Ni(OH)2·H2O, aminourea hydrochloride (SCZ·HCl) and 2,4,6-trinitroresorcinol (TNR), a halogen-free and lead-free chelating energetic material (CEM) [Ni(SCZ)3]TNR was synthesized. We confirmed the structure of [Ni(SCZ)3]TNR by infrared spectroscopy, X-ray diffraction, and elemental analysis. The complex is triclinic with P$\bar{1}$(2)/n space group. Cell parameters are: a = 1.04008(17) nm, b = 1.3719(2) nm, c = 1.4897(2) nm, V = 2.0337(6) nm3, Z = 4. The central nickel atom is six-coordinate with three oxygen atoms of carbonyl groups and three terminal nitrogen atoms of the hydrazine groups from three SCZs to form a distorted octahedron. Differential scanning calorimetry and analysis applied to assess the thermal decomposition behavior. The DSC curve with a linear heating rate of 10 °C·min-1 shows that [Ni(SCZ)3]TNR is thermally stable with one exothermic peak temperatures of 78.8 °C and two exothermic peak temperatures of 216.8 °C and 308.1 °C. The kinetic parameters were obtained by non-isothermal reaction kinetics. The equation can be expressed as lnk = 24.49-243.3 × 103/RT. Moreover, the values of the critical temperature of thermal explosion, ΔS≠, ΔH≠, ΔG≠, and the enthalpies of formation were obtained as 206.5 °C, -145.543 J·mol-1·K-1, 237.18 kJ·mol-1, 305.84 kJ·mol-1, and -2.65 MJ·kg-1, respectively.
KW - Chelates
KW - Energetic materials
KW - Nickel
KW - Semicarbazide
KW - Thermal behavior
UR - http://www.scopus.com/inward/record.url?scp=84947041752&partnerID=8YFLogxK
U2 - 10.1002/zaac.201500199
DO - 10.1002/zaac.201500199
M3 - Article
AN - SCOPUS:84947041752
SN - 0044-2313
VL - 641
SP - 1550
EP - 1555
JO - Zeitschrift fur Anorganische und Allgemeine Chemie
JF - Zeitschrift fur Anorganische und Allgemeine Chemie
IS - 8-9
ER -