TY - JOUR
T1 - Synthesis, crystal structure, and thermal properties of the energetic coordination compound [Co(DAT)2(H2O)4](HTNR) 2·2H2O (DAT = 1,5-diaminotetrazole)
AU - Zhang, Jianguo
AU - Wei, Lei
AU - Cui, Yan
AU - Zhang, Tonglai
AU - Zhou, Zunning
AU - Yang, Li
PY - 2011/9
Y1 - 2011/9
N2 - A new coordination complex, [Co(DAT)2(H2O) 4](HTNR)2·2H2O [DAT = 1,5-diaminotetrazole, HTNR = 2,4,6-trinitroresorcinol (styphnic acid)], was obtained in high yield and characterized by elemental analysis and Fourier-transform infrared (FT-IR) spectroscopy. The molecular structure of [Co(DAT)2(H2O)4](HTNR)2· 2H2O in the crystalline state is determined by X-ray crystallography is as follows: monoclinic, C2/c, a = 19.216(3) Å, b = 5.4992(8) Å, c = 30.418(5) Å, β = 104.500(5), V = 3112.0(8) Å3, Z = 4, ρcalc. = 1.851 g·cm-3, R1 = 0.0271 and wR2 = (all data) 0.0674. The central cobalt(II) cation is coordinated by two nitrogen atoms of two DAT and four oxygen atoms of four H2O ligand molecules to form a six-coordinate and slightly distorted octahedral structure. Extensive intermolecular hydrogen bonds link molecular units of [Co(DAT)2(H2O)4(HTNR) 2·2H2O together to form a 3D net structure with pore canals. The thermal decomposition mechanism for the title compound was predicted based on DSC, TG-DTG, and FT-IR analyses and non-kinetic parameters of the first exothermic process were estimated by applying the Kissinger, Starink, and Ozawa-Doyle methods.
AB - A new coordination complex, [Co(DAT)2(H2O) 4](HTNR)2·2H2O [DAT = 1,5-diaminotetrazole, HTNR = 2,4,6-trinitroresorcinol (styphnic acid)], was obtained in high yield and characterized by elemental analysis and Fourier-transform infrared (FT-IR) spectroscopy. The molecular structure of [Co(DAT)2(H2O)4](HTNR)2· 2H2O in the crystalline state is determined by X-ray crystallography is as follows: monoclinic, C2/c, a = 19.216(3) Å, b = 5.4992(8) Å, c = 30.418(5) Å, β = 104.500(5), V = 3112.0(8) Å3, Z = 4, ρcalc. = 1.851 g·cm-3, R1 = 0.0271 and wR2 = (all data) 0.0674. The central cobalt(II) cation is coordinated by two nitrogen atoms of two DAT and four oxygen atoms of four H2O ligand molecules to form a six-coordinate and slightly distorted octahedral structure. Extensive intermolecular hydrogen bonds link molecular units of [Co(DAT)2(H2O)4(HTNR) 2·2H2O together to form a 3D net structure with pore canals. The thermal decomposition mechanism for the title compound was predicted based on DSC, TG-DTG, and FT-IR analyses and non-kinetic parameters of the first exothermic process were estimated by applying the Kissinger, Starink, and Ozawa-Doyle methods.
KW - 1,5-Diaminotetrazole
KW - Cobalt
KW - Crystal structure
KW - Non-isothermal kinetics
KW - Thermal properties
UR - http://www.scopus.com/inward/record.url?scp=80053211750&partnerID=8YFLogxK
U2 - 10.1002/zaac.201100222
DO - 10.1002/zaac.201100222
M3 - Article
AN - SCOPUS:80053211750
SN - 0044-2313
VL - 637
SP - 1527
EP - 1532
JO - Zeitschrift fur Anorganische und Allgemeine Chemie
JF - Zeitschrift fur Anorganische und Allgemeine Chemie
IS - 11
ER -