Hydrothermal Synthesis, Crystal Structure and Magnetic Properties of a Novel Zero-dimensional Manganese（Ⅱ） Complex with 2,2′-Diphenic Acid and 1,10-Phenanthroline Ligands

A novel metal-organic coordination polymer [Mn3(2,2′-dipha)3(phen)6]n·3nH2O (2,2′-dipha = 2,2′-diphenic acid, phen = 1,10-phenanthroline) 1 has been hydrothermally synthe- sized and structurally characterized by single-crystal X-ray diffraction, elemental analyses, IR spectroscopy, and magnetic susceptibility measurements. The crystal crystallizes in triclinic, space group P1 with a = 16.921(5), b = 18.307(5), c = 18.450(5) , α = 113.369(5), β = 108.529(5), γ = 102.984(5)o, V = 4553(2) 3, C114H72Mn3N12O14.25, Mr = 2002.66, Dc = 1.461 g/cm3, μ(MoKα) = 0.488 mm1, the final F(000) = 2058, Z = 2, R = 0.0491 and wR = 0.0980 for 9087 observed reflections (I > 2σ(I)). In the crystal structure, the manganese atom is six-coordinated with two carboxylate oxygen atoms from different carboxylate groups of the same dipha and four nitrogen atoms from two different phen ligands, showing a slightly distorted octahedral geometry. Fur- thermore, it exhibits a zero-dimensional structure with dipha-Mn-phen- as building units. Variable- temperature magnetic measure shows an overall anti-ferromagnetic behavior for compound 1.     

Hydrothermal Synthesis and Crystal Structure of a Zinc Complex:[Zn_(2.5)(phen)(BDC)_2(OH)] (phen = 1,10-Phenanthroline, BDC = Benzene-1,4-dicarboxylic Acid)

A metal-organic coordination polymer [Zn2.5(phen)(BDC)2(OH)]2 (phen = 1,10- phenanthroline, BDC = benzene-1,4-dicarboxylic acid) 1 has been hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction, elemental analyses and IR spectroscopy. The complex crystallizes in the triclinic system, space group P1 with a = 11.199(2), b = 11.593(2), c = 11.865(3) , α = 99.330(1), β = 111.506(1), γ = 104.804(1)°, V = 1328.4(5) 3, Dc = 1.722 g/cm3, Z = 1, Mr = 1377.82, F(000) = 692, μ(MoKα) = 2.306 mm-1, S = 1.093, R = 0.0281 and wR = 0.0756 for 4179 observed reflections (I > 2σ(I)). The coordination polyhedron around Zn(II) can be described as a tetrahedron, trigonal bipyramid and octahedron. It is worth noting that the crystal structure of 1 is composed of tetranuclear zinc clusters linked by {ZnO6} units.     

一个镉配位聚合物[Cd(Pyphen)(1，4-BDC)(H2O)]·0.5Pyphen的合成、结构和荧光性质研究

The title complex, [Cd(Pyphen)(1,4-BDC)(H₂O)]·0.5Pyphen (1) (Pyphen=pyrazino[2,3-f][1,10]phenanthr-oline and 1,4-H₂BDc=1,4-benzenedicarboxylic acid) has been obtained by using hydrothermal synthesis and characterized by elemental analysis, IR, fluorescence spectrum and single-crystal X-ray diffraction. It crystallizes in orthorhombic, space group Pbcn with a=2.489 2(5) nm, b=0.967 88(19) nm, c=2.057 0(4) nm, V=4.955 9(17) nm³, Z=8, CdC₂₉H₁₈N₆O₄, M_r=642.89, D_c=1.723 g·cm^-3, F(000)=2 576, μ(Mo Kα)=0.937 mm^-1, R=0.039 6 and wR=0.102 6. The compound 1 exhibits one-dimensional chain structures, which are further stacked through π-π interactions to form supramolecular layers. Solid-state luminescent spectrum of the complex 1 indicates intense fluorescent emission. CCDC: 679004.     

Synthesis, Crystal Structure and Luminescent Property of a One-dimensional Zinc（Ⅱ） Complex

A metal-organic coordination polymer [Zn2(cbba)4(bix)2]n·nH2O (Hcbba = 2-(4′- chlorine-benzoyl)-benzoic acid, bix = 1,4-bis(imidazol-1-ylmethyl)-benzene) 1 has been hydrothermally synthesized and characterized by elemental analysis, IR, TG, fluorescence spectrum and single-crystal X-ray diffraction. Pale yellow crystals crystallize in the triclinic system, space group Pī, a = 10.2796(13), b = 17.636(2), c = 23.237(3), α = 105.046(2), β = 102.534(2), γ = 100.758(2)o, V = 3837.0(9)3, C84H59Cl4N8O13Zn2, Mr = 1660.93, Dc = 1.438 g/cm3, F(000) = 1702, Z = 2, μ(MoKα) = 0.835 mm-1, the final R = 0.0525 and wR = 0.1211 for 9129 observed reflections (I > 2σ(I)). The structure of 1 exhibits a one-dimensional chain-like structure and shows yellow luminescent property at room temperature.     

D-π-A-π-D型萘基衍生物的电子、光谱和电荷传输性质

采用量子化学方法研究了给体-π桥-受体-π桥-给体(D-π-A-π-D)型萘基衍生物及其“CH”/N 杂原子取代衍生物的电子、光谱和电荷传输性质. 计算结果表明, 分子结构的变化引起了电子结构和能隙的变化, 进而改变了吸收和发射光谱. 其中, 衍生物的最大发射波长几乎覆盖了可见光区域(447.7-743.1 nm). 而且, 光谱的Stokes 位移较大(106.1-222.4 nm), 产生的原因在于, 与基态结构相比较, 衍生物的激发态结构中分子主干存在两个相连部分更为平面的构型. 计算结果还显示, 所有衍生物都可以作为有机电致发光二极管中的空穴传输材料.     

钒酸铟分级结构微米花和纳米线的水热合成和可见光催化性能

采用水热法合成InVO₄分级结构微米花和InVO₄纳米线．FESEM结果表明, 通过控制水热反应参数可以获得不同形貌InVO₄晶体．利用可见光(λ>420 nm)照射下的罗丹明B降解实验评价了InVO₄样品的光催化性能．结果表明,InVO₄的光催化活性比商用P25 TiO₂高得多,其中花状InVO₄纳米结构光催化效率最高,经可见光照射40 min,罗丹明     

一个由吡嗪-2,3-二甲酸和咪唑构筑的锌配位聚合物的水热合成、晶体结构及荧光性质(英文)

A metal-organic coordination polymer [Zn2(pzdc)(im)3]n(H2pzdc=pyrazine-2,3-dicarboxylic acid,im= imidazole) 1 has been hydrothermally synthesized and characterized by elemental analysis,IR,fluorescence spectrum and single-crystal X-ray diffraction.Pale yellow crystals crystallize in the monoclinic system,space group P21/c,a=1.364 87(15) nm,b=1.389 43(15) nm,c=0.956 89(10) nm,β=102.354(2)°,V=1.772 6(3) nm3,C15H12N8O4Zn2,Mr=499.07,Dc=1.870 g·cm-3,F(000)=1 000,Z=4,μ(Mo Kα)=2.750 mm-1,the final R=0.032 2 and wR=0.087 8 for 3 208 observed reflections(I2σ(I)).1 shows green photoluminescent property at room temperature.     

中医滚法推拿对血液流动影响的数值研究

研究了中医滚法推拿的血液动力学机制．用狭窄轴向运动来模拟滚法推拿,通过轴对称非线性模型和含网格重分算法的任意欧拉-拉格朗日有限元方法研究狭窄轴向运动的轴对称刚性管中的粘性流动．流量和管壁切应力通过数值求解Navier-Stokes方程得到．数值结果表明,狭窄运动的频率,也就是滚法推拿的频率对流量和管壁切应力有很大的扰动作用．滚法推拿中另一个可变参数——刻划狭窄严重程度的狭窄度,对流量和管壁切应力同样表现出显著影响．这些数值结果可以为推拿的临床应用提供一些值得参考的数据．     

两个由异烟酰胺构筑的钴、镍配合物的合成及晶体结构

采用溶液培养法,在室温下合成了2个新的过渡金属配合物[Co(inta)2(H2O)4][Co(H2O)6](tdc)2.2H2O(1)和[Ni(inta)2(H2O)4](tdc).2H2O(2)(inta=异烟酰胺,H2tdc=2,5-噻吩二甲酸)。并对其进行了元素分析、红外光谱、紫外光谱、热重和X-射线单晶衍射测定。这两个配合物通过氢键和π-π相互作用形成了三维超分子网状结构。