TY - JOUR
T1 - Preparation, structure characterizations and thermal analysis of [Ba2(H2TNP)2(OH)2 (H2O)2]·(CH3 CH2OH)·2.5H2O complex
AU - Chen, Hong Yan
AU - Zhang, Tong Lai
AU - Zhang, Jian Guo
AU - Yang, Li
PY - 2006/2
Y1 - 2006/2
N2 - The Ba2(H2TNP)2(OH)2 (H2O)2]·(CH3 CH2OH)·2.5H2O (H2TNP:3,5-dihydroxy-2,4,6-trinitro-phenolate) complex was prepared by mixing barium nitrate solution and sodium H2TNP solution, which was obtained through the reaction of sodium bicarbonate and trinitrophloroglucinol. The molecular structure was characterized by using element analysis, IR analysis and X-ray diffraction. The complex 1 crystallizes in tetragonal system, space group 14(1)/amd, with crystal parameters, a = 19.911 (3) nm, b = 19.911(3) nm, c = 13.265 (3) nm, V = 5259.0 (15) nm3, Z = 8, R = 0.0335 with 1092 reflections. The structure consists of a barium dimmer unit held together by two oxygens bridging. Each Ba atom is 10-coordinated with eight oxygen atoms from four H2TNP, an oxygen atom from water molecule and a coordinated hydroxy ion. In complex the metal atoms are linked via oxygen bridges to infinite networks structure. Un-coordinating water molecules and ethanol molecules are present in the cavities of the crystal structure. The thermal decomposition of the complex is studied using differential scanning calorimetry (DSC), thermogravimetry-derivative thermogravimetry (TG-DTG) and IR techniques. The final residue is BaCO3 at 550°C.
AB - The Ba2(H2TNP)2(OH)2 (H2O)2]·(CH3 CH2OH)·2.5H2O (H2TNP:3,5-dihydroxy-2,4,6-trinitro-phenolate) complex was prepared by mixing barium nitrate solution and sodium H2TNP solution, which was obtained through the reaction of sodium bicarbonate and trinitrophloroglucinol. The molecular structure was characterized by using element analysis, IR analysis and X-ray diffraction. The complex 1 crystallizes in tetragonal system, space group 14(1)/amd, with crystal parameters, a = 19.911 (3) nm, b = 19.911(3) nm, c = 13.265 (3) nm, V = 5259.0 (15) nm3, Z = 8, R = 0.0335 with 1092 reflections. The structure consists of a barium dimmer unit held together by two oxygens bridging. Each Ba atom is 10-coordinated with eight oxygen atoms from four H2TNP, an oxygen atom from water molecule and a coordinated hydroxy ion. In complex the metal atoms are linked via oxygen bridges to infinite networks structure. Un-coordinating water molecules and ethanol molecules are present in the cavities of the crystal structure. The thermal decomposition of the complex is studied using differential scanning calorimetry (DSC), thermogravimetry-derivative thermogravimetry (TG-DTG) and IR techniques. The final residue is BaCO3 at 550°C.
KW - Barium complex
KW - Crystal structure
KW - Physical chemistry
KW - Thermal analysis
KW - Trinitrophloroglucinate
UR - http://www.scopus.com/inward/record.url?scp=33645153375&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:33645153375
SN - 1006-9941
VL - 14
SP - 21
EP - 26
JO - Hanneng Cailiao/Chinese Journal of Energetic Materials
JF - Hanneng Cailiao/Chinese Journal of Energetic Materials
IS - 1
ER -