Synthesis and Crystal Structure of a Heptanuclear Trigonal Prismatic Cluster {PrCu_6} with Glycine and Imidazole as Ligands

A new heptanuclear trigonal prismatic cluster [PrCu6(μ3-OH)3(Gly)6im6](ClO4)6 was synthesized through the self-assembly of Pr^3 , Cu^2 , glycine and imidazole in aqueous solution and characterized by X-ray structure analysis. The compound belongs to the trigonal R3 space groupwith a=b=15.8761(2), c=23.4943(5) A, V=5128.4(1)A^3, Z=3, Dc=1.965 g/cm^3,μ=2.869mm^-1 F(000)=3012, the final R=0.0332 and wR=0.0844 for 3596 independent reflections. In the cation, the Pr3 ion is situated at the center of a prism formed by six copper atoms and coordinates to nine oxygen atoms with a tricapped trigonal prismatic coordination polyhedron. Six glycine ligands and six imidazole terminal ligands participate in constructing the cluster.     

Two New Inclusion 1,4-Butylenediphosphonates with 3D Hydrogen-bonded Frameworks

1 INTRODUCTION Organophosphonates have many potential or practical applications, such as ion exchanges[1], po- rous material[2, 3], catalyst[4～7], small molecular sen- sors[2, 8, 9] and optics[10～13]. In supramolecular ar- chitectures, many interestin…     

肖特基钙钛矿太阳电池结构设计与优化

有机-无机杂化钙钛矿材料有高吸收系数、低廉的制作成本以及较为简单的制备工艺,在近年来表现出良好的发展前景.本文采用wx-AMPS模拟软件对平面结构钙钛矿太阳电池和肖特基钙钛矿太阳电池进行建模仿真对比,从理论上分析无载流子传输层的肖特基钙钛矿太阳电池的优势.结果显示,器件两侧电极功函数和吸收层的能带分布是提高太阳电池效率的关键.在对电极使用Au(功函数为5.1 eV)的前提下,透明导电电极功函数为3.8 eV,可以得到肖特基钙钛矿太阳电池转换效率为17.93%.对器件模型吸收层进行优化,通过寻找合适的掺杂浓度,抑制缺陷密度,确定合适的厚度,可以获得理想的转换效率(20.01%),是平面异质结结构(理论转换效率31%)的63.84%.肖特基钙钛矿太阳电池在简单的器件结构下可以获得优异的光电性能,具有较好的应用潜力.     

Eu2(p-ClC6H4COO)6(C12H8N2)2配合物热分解机理及非等温动力学

The thermal decomposition behaviour of europium p-chlorobenzoate complex with 1, 10-phenanthroline and its kinetics were studied in nitrogen by non-isothermal thermogravimetry.Its thermal decomposition occurs mainly in three steps..The intermediate and residue for each step of decomposition were identified from TGcurve.The kinetic parameters were obtained from analysis of the TG-DTG curves by the Achar method.the Madhusudanan- Krishnan-Niman (MKN) method and Ozawa method respectively.The most probable mechanisms function for the first and second stage were suggested by comparing the kinetic parameters.     

非等温TG—DTG法确定2,2‘—联吡啶—对甲氧基苯甲酸铕（Ⅲ）热分解 …

采用TG DTG和DTA技术研究了2,2' 联吡啶 对甲氧基苯甲酸铕(Ⅲ)在静态空气中的非等温热分解过程及动力学 ,根据TG曲线确定了热分解过程中的中间产物及最终产物 ,运用微分法与积分法对非等温动力学数据进行分析 ,推断出第一步的动力学方程为dα/dt=Aexp( E/RT)2(1 α)1/2 。     

泊洛沙姆F127和丹皮酚对GMO液晶相变的影响

对GMO/H₂O, GMO/F-127/H₂O和GMO/paeonol/H₂O三种体系的液晶特性进行了考察, 结合粘度及偏光纹理绘制相图, 运用“drying”方法的原理鉴别了反相胶束和立方相液晶, 并采用临界堆积参数p值理论探讨水溶性和脂溶性物质引起液晶相变的机理. 结果表明水溶性泊洛沙姆F127可使层状液晶区域变宽, 立方相液晶区域变窄|脂溶性丹皮酚可使层状液晶和立方相液晶区域变窄, 反相六角相液晶变宽. 本研究通过对单油酸甘油酯(GMO)液晶特征的研究, 为其作为载体的应用提供了理论基础.     

A NUMERICAL EMBEDDING METHOD FOR SOLVING THE NONLINEAR COMPLEMENTARITY PROBLEM（II）-ALGORITHM AND ITS CONVERGENCE

In this paper, based on the results presented in part I of this paper[18],we present a numerical embedding algorithm for solving the nonlinear complementarityproblem, and prove its convergence carefully. Numerical experiments show that thealgorithm is successful.     

丙酮肟1H核磁共振溶剂效应的研究

测定了丙酮肟在四氯化碳、氯仿、二氯甲烷、苯和甲苯溶剂中随丙酮肟摩尔浓度变化的¹H NMR谱,观察到在氯代甲烷溶剂中,丙酮肟分子中两个甲基和氯代甲烷的质子共振峰随丙同肟摩尔浓度增加而逐渐移向高场,而羟基共振峰却逐渐移向低场。其两个甲基表现为单峰。在芳烃溶剂中,丙酮肟分子中两个甲基和芳烃质子共振峰随丙酮肟摩尔浓度增加逐渐移向低场,且两个甲基表现为双峰,得到了所有化学位移与丙酮肟摩尔浓度呈线性关系。     

在甲烷氧化偶联反应中碱、碱土、稀土金属氧化物之间的相互作用 Ⅰ.含锂氧化物催化剂表面锂的作用

报导了表面相Li在甲烷氧化偶联反应中的作用。应用XRD,SEM,ESR及IR-PAS等技术对Li-Mn-Mg-O催化剂体系表面相的组成、结构及活性进行了测试,发现C_2产物的生成量同表面相Li的含量有较好的对应关系。同时发现含Li催化剂的失活同表面相Li的流失有密切的关系。表面Li的流失可借助体相Li在适当温度下扩散得到补充,但这种补充也是很有限的。     

5H-苯基联苯膦磺化产物的薄层色谱分离

1 引 言5H－苯基联苯膦（5H-phenyl-dibenzophosphole, PDBP）的磺化产物是一种多组分的复杂混合物,在石油化学工业具有很好的应用前景。5H－苯基联苯膦是三苯基膦的衍生物,是三苯基膦经桥连反应生成。经与发烟硫酸/硼酸的无水混合物反应,氢氧化钠中和,生成PDBP磺酸钠的混合物。混合物中除了可能含有目标产物二磺化PDBP和三磺化PDBP外,还可能含有取代位置不同的一磺化产物的异构体,二磺化和三磺化PDBP的氧化物,以及Na2SO4等。有关PDBP磺化产物分离方法的研究,目前尚未见报道。作者尝试用薄层色谱法来分离该混合物,通过…