轴向配体的碱性对Co(SBMe)双氧加合物和Cu(SBPh)结构影响的ESR研究

用希夫碱钴（Ⅱ）和铜（Ⅱ）配合物作为模型化合物，系统地研究了轴向配体的碱性对模型化合物ＥＳＲ参数的影响。实验发现，钴（Ⅱ）配合物的│Ａ│张量随轴向配体碱性的增加而减小，而铜（Ⅱ）配合物的│Ａ│张量正好相反。用π反馈作用解释了这一现象。     

Synthesis andCrystal Structure of{[Mn（H2O）4（3,3′—azpy）]（3,3′—azpy）3（PF6）2}n

The complex {[Mn(H2O)4(3, 3?-azpy)](3, 3?-azpy)3(PF6)2}n (3, 3?-azpy = 3, 3?- azobispyridine) has been synthesized and characterized. The crystal (C40H40F12MnN16O4P2, Mr = 1153.76) belongs to the triclinic system, space group P ī with the following crystallographic parameters: a = 10.761(2), b = 11.040(2), c = 23.365(4) ?, ( = 85.52(1), ( = 82.69(1), ( = 70.44(1)°, V = 2592.5(8) ?3, Dc = 1.478 g/cm3, ((MoK() = 4.16 cm-1, F(000) = 1174, Z = 2, final R = 0.0493 and wR = 0.1158 for the observed reflections (I > 2.00((I)). The X-ray analysis revealed that manganese(Ⅱ) cation coordination environment is a distorted octahedral geometry, and the Mn2+ cation is coordinated by four oxygen atoms of water in the equatorial plane, while the two nitrogen atoms of 3, 3?-azpy occupy the axial positions. The complex forms a one-dimensional chain structure via 3, 3?-azpy bridging ligand.     

Thermal Behavior and Decomposition Kinetics of the Complexes of CuX2 （X=NO3, Br, CI and CIO4） with 3,3＇-Dimethyl-1 -（1 H-1,2,4-triazol-1-yl）-2-butanone

The thermal behaviors of the complexes of Cu(DMTZB)4X2 (DMTZB=3,3‘-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone, X=NO3 or ClO4) and Cu(DMTZB)2 X2 (X=Br or Cl) in a nitrogen atmosphere were studied under the non-isothermal conditions by simultaneous TG-DTG-DSC, EDS and elemental analysis techniques. The resuits showed that their decomposition proceeded in three different ways mainly depending on the anions in the molecules. The heat effect associated with the decomposition step of DMTZB molecules was also different. The decomposition mechanisms and the kinetic parameters of DMTZB were determined and calculated by jointly using four methods, which showed that its pyrolysis was controlled by D3 mechanism but with different activation energies and pre-exponential factors for different complexes.     

Synthesis and Crystal Structure of Bis(nitrate)bis(dipiperidin-1-yl-methanone)uranyl(II)

1 INTRODUCTION The extraction chemistry of uranium is a veryimportant research field, and the new high extrac-tants of uranium have being studied for several deca-des[1, . Our interest is studying the behaviors of new 2]extractants and their st…     

新颖四核W-Cu-S簇合物[(η5-C5Me5)WS3Cu3Br(Py)3(dppm)](PF6)的合成和晶体结构

In the presence of NH₄PF₆， reaction of [PPh₄][(η⁵-C₅Me₅)WS₃Cu₃Br(dppm)] with excess pyridine afforded red prismatic crystals， [(η⁵-C₅Me₅)WS₃Cu₃Br(Py)₃(dppm)](PF₆) (1). It was characterized by elemental analy-sis， IR， UV-vis and ¹H NMR spectroscopy and X-ray diffraction. 1 crystallizes in an orthorhombic system with space group Pna2₁ and unit cell parameters a=2.1124(4)nm， b=1.8944(4)nm， c=1.3338(2)nm， V=5.3375(19)nm³， Z=4， D_c=1.807g·cm^-3，M_r=1452.42， F(000)=2864， μ=4.342mm^-1， R₁=0.0487， wR₂=0.1027. The structure of the cluster cation contains an incomplete cubane-like WS₃Cu₃ core where Cu(1) and Cu(2) atoms are bridged by a dppm ligand. Each of the three Cu atoms adopts a distorted tetrahedral coordi-nation geometry. The W-Cu(1)， W-Cu(2) and W-Cu(3) distances are 0.27698(17)nm， 0.2772(17)nm， and 0.27065(9)nm， respectively. CCDC： 199845.     

一种新型的细胞骨架力学模型

确定细胞骨架的结构和力学特性,建立和完善细胞骨架力学模型,是研究细胞在外界机械刺激下的复杂力学响应的关键。本文基于柔性结构设计中的找形分析,提出了一种新型的细胞骨架力学模型——找形模型。找形模型依靠随机理论生成模型中的单元,利用找形分析确定细胞模型的最终形状,模型更加接近真实的细胞骨架结构。与经典的细胞骨架力学模型(如泡沫模型、张力整合模型、索网模型等)相比,找形模型反映了细胞骨架结构的多样性和复杂性,符合细胞处于预应力状态的试验观测;找形模型计算出的细胞弹性模量为103Pa数量级,与大多数的细胞试验结果相符;另外,找形模型还可以分析细胞骨架组成成分的含量、几何尺寸和力学属性对细胞刚度的影响。     

大环镍配合物[Ni(teta)(NCS)2]的合成与结构研究

大环配体由于其独特的配位性能已吸引了广泛的注意,用大环化合物模拟生物功能,是当今大环化学发展的方向之一[1]。大环四胺配体5,7,7,12,14,14-六甲基-1,4,8,11-四氮杂环十四烷(简记为teta)的钴配合物已被用来作为研究维生素B12的模型分子[2],一些teta的配合物也已被陆续报道[3     

Thermal Behavior and Decomposition Kinetics of the Complexes of CuX_2 (X=NO_3, Br, Cl and ClO_4) with 3,3''''-Dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone

Introduction N-1-Alkyl-substituted 1,2,4-triazole compounds, like some other heterocyclic derivatives containing nitrogen, have recently been the subjects of numerous studies due to their fungicidal action1 and plant growth regulation.2 Among them, the complexes with a sort of triazole as ligand are of considerable interest because of their broad-spectrum bioactivity, coordination and photo-chemical properties, as well as many potential applica-tions in various fields.3,4 In our previous paper…     

Synthesis, Structure and Characterization of Two-dimensional Network Copper Complex [Cu_3(nta)_2(azpy)_2(H_2O)_2]·6H_2O

ＩｎｔｒｏｄｕｃｔｉｏｎＣｒｙｓｔａｌｅｎｇｉｎｅｅｒｉｎｇｏｆｓｕｐｒａｍｏｌｅｃｕｌａｒａｒｃｈｉｔｅｃｔｕｒｅｓｓｕｓｔａｉｎｅｄｂｙｃｏｏｒｄｉｎａｔｅｃｏｖａｌｅｎｔｂｏｎｄｓｏｒｈｙｄｒｏｇｅｎｂｏｎｄｓｒｅｐｒｅｓｅｎｔｓａｒａｐｉｄｌｙｅｘｐａｎｄｉｎｇｆｉｅｌｄｔｈａｔｏｆｆｅｒｓｐｏ ｔｅｎｔｉａｌｆｏｒｄｅｖｅｌｏｐｍｅｎｔｏｆｎｅｗｃｌａｓｓｅｓｏｆｆｕｎｃｔｉｏｎａｌｓｏｌｉｄｓ .1,2 Ｔｈｅａｒｃｈｉｔｅｃｔｕｒｅｓｏｆｃｏｏｒｄｉｎａｔｉｏｎｐｏｌｙｍｅｒｓｃａｎｂｅ…     

一维链钴配位聚合物{[Co(H2O)4(3,3′-azpy)](3,3′-azpy)3(PF6)2}n的结构和性质的研究

The complex {[Co(H₂O)₄(3,3′-azpy)](3,3′-azpy)₃(PF₆)₂}_n(3,3′-azpy=3,3′-azobispyridine) has been synthesized and characterized. The crystal (C₄₀H₄₀F₁₂CoN₁₆O₄P₂, M_r=1157.75) belongs to the triclinic system, space group P1 with the following crystallographic parameters: a=10.759(2),b=11.012(2), c=23.207(4)?; α=85.330(10), β=83.470(10),γ=69.770(10)°;V=2560.6(8)?³,D_c=1.502g·cm^-3, μ(MoKα)= 0.498mm^-1,F(000)=1178,Z=2, and final R₁=0.0469, wR₂=0.1053 for observed reflections 5549 (I> 2.00σ(I)).The X-ray analysis reveals that cobalt(Ⅱ) cation coordination environment is a distorted octahedral geometry, the Co²⁺ ion is coordinated by four oxygen atoms of water in the equatorial plane, while the two nitrogen atoms of 3,3′-azpy occupy the axial positions. The complex forms a one-dimensional chain structure via 3,3′-azpy bridging ligand. The one-dimensional chain forms three-dimensional network by hydrogen bonds and π-π inter-actions.