Na1.0Zn1.62Si1.38O4.84·0.6H2O的水热合成及离子导电性质

Anew sodium zincosilicate single crystal Na_1.0Zn_1.62Si_1.38O_4.84·0.6H₂O with size of 0.3mm×0.3mm×0.3 mm was prepared by hydrothermal synthesis method. Powder X-ray diffraction analysis result shows that this compound is a new phase.The compound is stable up to 500℃. The results of ACimpedance measurement shows that its ionic conductivity at 450℃ is 2×10^-4S·cm^-1 and the activation energy for ionic conduction is 79.64 KJ/mol.     

类水滑石[CdxMg6-xAl2(OH)16]2+[S·2H2O]2-的合成与表征

用中温水热法合成了类水滑石[Cd_xMg_6-xAl₂(OH)₁₆]²⁺[S·2H₂O]^2-,探讨了pH值、投入Cd²⁺离子的量以及硫化时间等条件对合成的影响,并用XRD、FT-IR、DTA-TG等手段进行了表征,找出了合成层间嵌入S^2-离子的含Cd类水滑石的最佳条件。     

(Ba,Pb)TiO~3的水热合成

以醋酸钡和钛酸四丁酯为原料, 在温和的水热条件下成功地制备出四方结构BaTiO~3和纯钙钛矿结构PbTiO~3, 以及固溶体(Ba, Pb)TiO~3。与氯离子和硝酸根离子比较, 醋酸根离子更有利于BaTiO~3晶粒的增大。以活性的钛酸四丁酯作为钛源, 200℃-240℃的碱液中, 即会有四方相BaTiO~3的形成, 高填充度也能促进四方相BaTiO~3的形成。     

新型层状磷酸铝[Al6P8O32][(C2H5)2NHCH2CH2NH3]2·[C2H5NH2CH2CH2NH2C2H5] 的合成、表征及其共模板作用

在溶剂热体系中,以N,N-二乙基乙二胺为结构导向剂,合成了Al/P为3/4的层状磷酸铝[Al6P8O32][(C2H5)2NHCH2CH2NH3]2·[C2H5NH2CH2CH2NH2C2H5]单晶,并通过X射线单晶衍射结构分析.XRD,ICP,元素分析,差热-热重分析等手段进行了表征.该化合物属单斜晶系,P2(1)/c空间群,晶胞参数:a=0.90945(2)nm,b=1.46424(4)nm,c=1.87572(5)nm,β=102.672(2)°,Z=4.其阴离子层由AlO4四面体和PO3(=O)四面体单元交替连接构成,形成四、六、八元环拓扑结构,无机层以ABAB方式堆积,两种质子化的有机胺分子N,N-二乙基乙二胺及其重排产物N,N′-二乙基乙二胺填充在层间.用分子动力学模拟方法,考察了标题化合物中有机胺与无机层间的相互作用,讨论了这两种有机胺的共模板作用.     

非水介质中全硅沸石分子筛合成的研究 全硅方钠石和全硅ZSM-39 的晶化

在乙醇胺及甘油和乙二胺混合物两种非水介质中合成了全硅方钠石,在广泛的有机介质中进行了全硅沸石合成的研究,首次获得了全硅ZSM-39及未知结构硅酸盐K相,通过X射线衍射、红外光谱、组成分析、差热与热重分析等方法对合成的晶体产物进行了鉴定,应用液相电导率-硅酸根离子浓度测量方法对非水溶液的性质及对非水介质中全硅沸石生成的必要条件进行了探讨。     

溶剂热法合成无水NaBiO3多晶粉末

Anhydrous NaBiO₃ polycrystal powders have been prepared through a new process in which the alkoxides were used as precursors and the parent ROH as medium. The influences of precursors and medium for products were investigated. The reducibility of Bi(Ⅲ) in solvthermal process and the morphology of NaBiO₃ powders were studied.     

分子模拟研究过渡金属锰(Ⅱ)取代的磷酸铝MnAPO-14

The structure of manganese(Ⅱ)-substituted aluminophosphate MnAPO-14 with AFN zeotype has been investigated by computational simulation in Cerius² package. Starting from reported structure of MnAPO-14, total 28 theoretical models of Mn-substituted AFN have been built and optimized to obtain their stable conformation. In terms of the host-guest non-bonding interaction and the framework energies, the Mn(Ⅱ)-substituted sites and the bonded sites of two H₂O molecules can be well predicted for MnAPO-14. The simulated structure is in good agreement with that of experimental MnAPO-14. Calculation results suggest that the replacement site of Al by Mn(Ⅱ) atom in AFN is dramatically effected by the guest molecules of organic templating resided in the channels, which is corresponding to the host-guest charge-density matching principle. This work will be helpful for the better understanding the structures of metal-substituted microporous materials.     

掺杂Cu~(2+)离子水滑石[Cd_xMg_(6-x)Al_2(OH)_(16)]~(2+)[S·2H_2O]~(2-)导电性质的研究

合成了掺杂Cu2+离子水滑石[EdxMg6-xAl2(OH)16]2+[S·2H2O]2-，研究了它的导电性质及其影响因素，计算得到在383～523K时的导电活化能为7．18kJ／mol．     

具有[344484]笼状结构单元的微孔磷酸镓Ga3P2O8(OH)3(H2O)的合成、晶体结构及表征

Open-framework metal phosphates have been the subject of intense research owing to their interesting structural chemistry and potential applications in catalysis and ion exchange. The gallium phosphate family has exhibits rich structural chemistry. A novel gallium phosphate Ga₃P₂O₈(OH)₃(H₂O)(GaPO-CJ36) has been prepared in a hydrothermal reaction system of GaO(OH)-H₃PO₄-Co(chxn)₃Cl₃-H₂O at 180 ℃ for 7 days. Single-crystal X-ray analysis shows that GaPO-CJ36 crystallizes in the P2₁/c space group with a=1.833 35(12) nm, b=0.503 94(3) nm, c=1.062 90(9) nm, V=0.982 01(12) nm³, and Z=4. The connection of GaO₂(OH)₃(H₂O) octahedra, PO₄ and GaO₄ tetrahedra through vertex oxygen atoms forms a three-dimensional open framework, which contains 8-ring channels along the [010] direction. Its structure is composed of interesting [3⁴4⁴8⁴] cages, which have not been found in known gallium phosphates. CSD: 416779.     

Ru(bpy)2+3 在MCM-48中的组装及其发光性质

无机微孔晶体具有均一的孔径和特殊的孔道及笼结构, 已被证明是一类优良的功能组装载体. 早期合成的微孔沸石分子筛晶体的孔道直径一般小于1 nm, 很难直接组装尺寸较大的功能分子, 因而Ru(bpy)2+3在Na-Y沸石分子筛中的组装只能采取所谓的"瓶中造船"方法, 该方法的缺点是反应过程较复杂, 反应条件较苛刻, 容易产生杂质且无法除去.