物理化学学报2008，Vol.24Issue(4)：576-580,5.
三硝基间苯三酚5-氨基四唑盐的晶体结构及热分解
Crystal Structure and Thermal Decomposition of 5-Aminotetrazole Trinitrophloroglucinolate
摘要
Abstract
5-Aminotetrazole trinitrophloroglucinolate ((ATZ) TNPG) was prepared and characterized by elemental analysis and FT-IR spectroscopy. The crystal structure was determined by X-ray diffraction analysis and it belonged to orthorhombic system and Pbca space group with a=0.6624(2) nm, b=-1.7933(4) nm, c=2.3117(5) nm, V=2.7458(9) nm3, 7.=4, and Dc=1.849 g. cm-3. The molecular formula was confirmed to be (ATZ)TNPG. 2H20. 5-Aminotetrazole cation (ATZ+) and trinitrophloroglucinol anion (TNPG-) were linked into 2-D layers along b-axis and c-axis by hydrogen bonds. Then the layers were linked along a-axis by hydrogen bonds between the water molecules belonging to different layers. The thermal decomposition mechanism of the compound was studied by differential scanning calorimetry (DSC), thermogravimetry-thermogravimetric analysis (TG-DTG), and Fourier transform-infrared (FT-IR) spectroscopy techniques. with peak temperature of 76 ℃ and one exothermal process with peak temperature of 203 ℃. The former was confirmed to be a dehydrate process. The latter was the decomposition of TNPG- and ATZ+ in the compound. The method were, E=132.1 KJ. mol-1, In (A/s-1)=12.54 with r=0.9990, and the calculation results from Ozawa-Doyle's method were, E=133.1 KJ·mol-1 with r=0.9992.关键词
三硝基问苯三酚/5-氨基四唑/TNPG/制备/晶体结构/热分解Key words
Trinitrophloroglucinol/ ATZ/ TNPG/ Preparation/ Crystal structure/ Thermal decomposition分类
化学化工引用本文复制引用
胡晓春,张同来,乔小晶,杨利,张建国,崔燕,张进..三硝基间苯三酚5-氨基四唑盐的晶体结构及热分解[J].物理化学学报,2008,24(4):576-580,5.基金项目
国家自然科学基金(10776002)资助项目 （10776002）
