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一维链状配位聚合物{[Cu(H2bttc)(H2O)3]·3H2O}n的非等温反应动力学和晶体结构 总被引:1,自引:0,他引:1
为研究配位聚合物{[Cu(H2bttc)(H2O)3]·3H2O}n(H2bttc=1,2,4,5-benzenetetracarboxylate)的热分解机理和非等温反应动力学进行了DSC和TG-DTG热分析。由热分析结果和FTIR光谱推测了其热分解机理;将Kissinger法、Ozawa法、积分法和微分法得到的动力学参数进行比较确定了第一个失重过程最可能的动力学模型函数。配位聚合物的X射线单晶结构分析表明它由 [Cu(H2bttc)(H2O)3]n分子链组成,并有客体水分子通过分子间氢键附着在分子链上。这一结构特点与热分析结果相一致。还有一种氢键将分子链连接起来形成二维框架,这一框架在失去配位水和结晶水后到553 K开始分解。 相似文献
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A novel 3D metal-organic coordination polymer Pb(1,4-napdc)(DMF) (1,4-napdc=naphthalene-1,4-dicarboxylate) was synthesized at room temperature using slow vapor diffusion method to grow single crystal that has been analyzed by X-ray diffraction. The crystal belongs to orthorhombic with space group P212121. The unit cell parameters are as fellows: a=0.701 3(2) nm, b=1.407 6(3) nm, c=1.521 5(4) nm, V=1.501 8(6) nm3 and Z=4. In the crystal structure of Pb(1,4-napdc)(DMF), the square grids constructed with paddle-wheel units of Pb(Ⅱ) and 1,4-napdc links stack over each other to generate infinite 3D network, which has square apertures (1.158×1.158 nm2) along the crystallographic a-axis. The thermal stability of compound was investigated by differential scanning calorimetry and thermogravimetric analysis. CCDC: 293617. 相似文献
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(AG)(DNP)的合成和结构表征 总被引:1,自引:0,他引:1
通过氨基胍(AG)重碳酸盐与2,4-二硝基苯酚(DNP)反应,制备了新型离子型化合物2,4-二硝基苯酚氨基胍(AG)-(DNP).通过X射线单晶衍射、元素分析、红外光谱和热分析对其进行了表征.测试结果表明:该晶体属于单斜晶系,空间群P21/n,a=0.4922(1)nm,b=2.3307(3)nm,c=0.9404(6)nm,β=91.621(2)°,Z=2,Dc=1.590g/cm3,F(000)=144.该化合物分子由氨基胍阳离子和2,4-二硝基苯酚阴离子以静电引力结合,分子间存在氢键.该化合物是一种具有潜在应用前景的气体发生剂. 相似文献
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A new compound,[RbHTNR]_∞[HTNR:C_6H(NO_2)_3(OH)O],was synthesized by the reaction of rubidium ni-trate and styphnic acid.The molecular structure was characterized using X-ray diffraction analysis,elementalanalysis and FTIR spectroscopy.The crystalline is monoclinic with space group P2_1/n and the empirical formulaC_6H_2N_3O_8Rb.The unit cell parameters are:a=0.4525 nm,b=1.0777 nm,c=1.9834 nm,β=90.47(2)°,V=0.96725 nm~3,Z=4,D_c=2.263 g/cm~3,Mr=329.58,F(000)=640,μ(Mo Kα)=5.165 mm~(-1).The thermal decompo-sition mechanism of the complex was studied by differential scanning calorimetry(DSC),thermogravimetry-derivative thermogravimetry(TG-DTG)and FTIR techniques.At the linear rate of 10 ℃/min,the thermaldecomposition of the complex showed three mass reducing processes between 60 and 500 ℃,and finally evolvedRbCN and some gaseous products. 相似文献
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用碳酰肼 (CHZ ,NH2 NHCONHNH2 )、硝酸铅和三硝基间苯二酚 (TNR ,斯蒂酚酸 )的水溶液制备 [Pb2 (TNR) 2 (CHZ) 2 (H2 O) 2 ]·4H2 O .采用单晶分析的方法测定它的分子结构 ,并用TG DTG、DSC和 IR相结合的技术研究它的热分解机理 .所得晶体属单斜晶系 ,P2 1/n空间群 .晶体学参数为 :a=0 .6470 0 ( 10 )nm ,b =1.60 74 ( 3)nm ,c=1.4 883( 3)nm ,β =97.4 2 ( 2 )° ,V =1.534 9( 5)n ,Z =2 ,DC=2 .572 g·cm- 3,μ(Mo ,Kα) =11.0 80cm- 1,F( 0 0 0 ) =112 8.最终偏离因子R =0 .0 4 2 2 ,Rw=0 .0 735.该配合物分子呈中心对称 ,两个羰基O原子形成两个氧桥 ,TNR2 - ,CHZ和H2 O同时参与了与中心离子的配位 相似文献
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三硝基均苯三酚金属(Li,Na, K,Mg)化合物的快速热分解 总被引:1,自引:1,他引:0
利用温度快速跃升傅立叶变换红外(T-jump/FTIR)原位分析技术对三硝基均苯三酚(TNPG, 2,4,6-三硝基-1,3,5-苯三酚)的锂、钠、钾、镁金属盐的快速热分解反应过程进行了系统研究. 确定了三硝基均苯三酚系列化合物快速热分解过程产生的可挥发金属化合物的类型, 得到了快速热分解过程主要红外活性气体产物的种类、分布及浓度随时间的变化关系曲线, 提出了其快速热分解方程式. 利用计算机模拟方法, 采用REAL程序对三硝基均苯三酚系列化合物的燃烧性能(燃烧产物和燃烧温度等参数)进行了计算, 与T-jump/FTIR分析技术得到的实验结果进行比较分析和讨论. 相似文献
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T-jump/FT-IR spectroscopy was used to study the rapid thermal decomposition activity of [Pb2(TNR)2(CHZ)2(H2O)2]·4H2O and Cd(CHZ)2(TNR)(H2O) under 0.1 MPa Ar atmosphere. The results show that the main gaseous products of [Pb2(TNR)2(CHZ)2(H2O)2]·4H2O are NH3, H2O and HONO, while CO and NO are the major gaseous products of flash pyrolysis of Cd(CHZ)2(TNR)(H2O). Thus Cd(CHZ)2(TNR)(H2O) is not an eco-friendly and chemically compatible primary explosive. Both compounds liberate volatile metal carbonate, oxide and isocyanate compounds. The combustion temperature and products of the two compounds were calculated by Real code. The results of theoretical calculation show that the combustion temperature of [Pb2(TNR)2(CHZ)2(H2O)2].4H2O is higher than that of Cd(CHZ)2(TNR)(H2O), there is no HNCO in the combus- tion products and the amount of NO is less than the experiment result from T-jump/FTIR. 相似文献
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The coordination compound of [Sr(CHZ)(TNR)(H2O)(OH)]2·2H2O (TNR: 2,4,6-trinitroesorcinol, CHZ: carbohydrazide) was prepared by reacting CHZ solution and strontium styphnate solution (obtained through the reaction of strontium carbonate and styphnic acid). The molecular structure was characterized by using X-ray diffraction analysis, element analysis and FTIR analysis. The crystal belongs to triclinic with space group P1. The unit cell parameters were as follows: a=0.725 2(2) nm, b=1.021 2(2) nm, c=1.144 0(2) nm, α=69.50(3)°, β=78.82(3)°, γ=84.64(3)° and Z=2. The thermal decomposition of the compound is studied using differential scanning calorimetry (DSC) and thermogravimetry thermogravimetry-derivative (TG-DTG) techniques. CCDC: 269310. 相似文献