配体

As a complicated multidentate ligand, theβ-diketone ligands and their derivatives have played a significant role in the realm of modern coordination chemistry, crystal engineering, supramolecular chemistry and biomedicine.

β-二酮类衍生配体作为一种优良的含氧配体，一直以来都是现代配位化学、晶体工程和材料科学、超分子化学、生物医学等领域的研究热点之一。

By applying density functional theory, the relationships between the electron structures and the complexation of the two types of bis-β-diketone ligands (dithiol-γ-linked or alkyl-γ-linked) were investigated, based on the polarized continuum model of the self-consistent reaction field. Using the model B3LYP/6-31G**, the geometries of the ligands were optimized and the electron structure changes calculated.

基于自洽反应场中的极化连续介质模型，采用密度泛函理论B3LYP/6-31G**计算了以二硫醚和芳环为桥基的两类双β-二酮配体的空间构型和电子结构，结合其配合物晶体结构数据，研究配体分子电子结构与配位性的关联性。

This part we introduce complexes synthesized by hydrothermal method containing inorganic polyacid, bipyrindine, organic polyacid, pyridine-carboyxlate, and mixed polyacid and polybase ligands.

我们分类介绍了，水热条件下合成的含无机的同多或杂多酸配体、联吡啶、有机多酸、吡啶羧酸和混合酸碱配体的配位化合物。

Tortile octagonal Zn_4O_4 building of μ2-O is edge-bridged by four carboxylates to give a novel topology structure. Viewed along the c zxis, there are channels(10.8A×8.15A)in the structure filled by L1 ligands.

同时，以L1为第一配体，均苯四酸为第二配体与Zn合成了另一个具有新颖结构的三维配位聚合物 [Zn_2(L1)_(0.5)_2]2。

To our surprise we achieved the ligand 9, 11 and 29 with coordinating atoms fixing at benzylic and benzene ring positions, whose structure is unique in the planar chiral cyclophane chemistry.

以钯催化的烯丙基取代反应对配体进行了考察，硫醚或硒醚取代基在苄位取代的配体表现出更高的反应活性和更高的对映选择性，配体9和11均给出最高为94％的ee值。

In this thesis, a series of complexes based on aromatic multicarboxylic acids have been successfully synthesized in solutions or under hydrothermal conditions. Their structure and properties are investigated.(1) Eight complex compounds have been synthesized and characterized by X-ray single crystal diffractive technology: The eight complexes are listed as following: [Cu242] complex 1 [Cd22(H2O)4]·4H2O complex 2 [Co(H2btc)(H2O)3] complex 3 [Co2(H2O)2]·H2O complex 4 [Ni22(H2O)4] complex 5 [Cu22(H2O)4] complex 6 [Co(H2biim)2(H2O)2](H2btc) complex 7 [Zn(H2biim)2(H2O)2](H2btc) complex 8 The structure of complex 1 is dinuclear complex resulted from weak interactions（0-D chain）; complex 2 is 1-D chain stucture result from interactions of water molecules; complex 3、4、5、6 are coordination polymers using hydrothermal synthses, where the first kind ligand is H4btc, the second kind ligand is phen and Co2+、Ni2+、Cu2+ as center ions, respectively. While the coordination enviroment of Co2+ is the same in complex 3, the coordination geometries around the Co atoms in complex 4 are obviously different because of the different reaction conditions. In complex 4, the 1-D chains are connected into 2-D layer through carboxy groups of ligand H4btc. The structures of complex 5、6 are 1-D chain stucture result from interactions of carboxy groups in ligand H4btc. Complex 7、8 are homeomorphy compounds. Either of them are linked to the 3-D chains through intermolecular hydrogen bonds. Each H4btc lose two protons and H2btc2- acts as negative electron balance.

合成了8个结构新颖的配合物，并用X-射线单晶结构分析方法确定了晶体结构，分别为： [Cu242] 配合物1 [Cd22(H2O)4]·4H2O 配合物2 [Co(H2btc)(H2O)3] 配合物3 [Co2(H2O)2]·H2O 配合物4 [Ni22(H2O)4] 配合物5 [Cu22(H2O)4] 配合物6 [Co(H2biim)2(H2O)2](H2btc)配合物7 [Zn(H2biim)2(H2O)2](H2btc)配合物8 配合物1是一个依靠弱作用连接的双核铜结构；配合物2借助水分子形成一维链状结构；配合物3、4、5、6是以H4btc为第一配体、phen为第二配体，通过水热法合成的配合物，其中，Co2+、Ni2+、Cu2+为中心离子；配合物3中的二价钴离子具有相同的配位环境，不同反应条件下得到的配合物4中的二价钴离子存在不同的配位环境，在配合物4中，一维链通过H4btc上的羧基形成一个二维层结构；配合物5、6是借助H4btc上的羧基形成的一维链状结构；配合物7、8属于异质同晶结构，它们的分子通过分子间氢键形成三维网状结构，H4btc上的羧基失去2个质子，作为一个二价负离子起到电荷平衡作用。

The study of crystal structure indicates that the complexes belongs to tetragonal,14(1)/a, a=b=27.047(5) A, c=14.103(3) A, a=b=y =90,V=10317(4)A3, Z=16, Dc=1.071g/cm3, F(000)=3408, R,=0.1395, R2=0.1766 and every unit of the tetranuclear complexes is four-coordinated to tridentate ligand and nitrogen atom in pyrazolone from other ligand. The complexes is slightly deformed square-planar geometry.

晶体结构研究表明，该配合物为四方晶系，空间群I4(1)/a，a=b=27.047(5)，c=14.103(3)，α=β=γ=90°，V=10317(4)，Z=16，Dc=1.071g/cm~3，F(000)=3408，R_1=0.1395，ωR_2=0.1766，其结构单元是由一个三齿配体中的ONO和另一个配体吡唑啉酮环二位上的N配位后形成略微畸变的平面四边形构型，其中Cu的配位数为4。

The results are following:(1)We investigated the influence of the positional isomeric effect on structures.Due to the less space-crowding,it is easier for 3-pytpy to behave as bridging ligand than 2-pytpy under the same reaction conditions,while,it is easier for 2-pytpy to function as tridentate chelating ligand to construct supramolecular structures.

研究结果如下：(1)研究了两个吡啶取代三联吡啶配体的位置异构效应对配合物结构的影响。3-pytpy配体比2-pytpy具有更小的空间位阻，在相同的合成条件下容易以单-三齿桥联方式配位；而2-pytpy更易以三齿螯合形式配位，通过π…π堆积作用形成超分子结构。

CRP is the member of pentraxins family which two faces of pentamer form a special bi-phase structure: one face is ligand recognition phase; the other face is effector phase. CRP can connect E-LDL with endothelial cells, thus can induce deposition of lipid in intima and activate complement.

CRP是一种双面五聚体结构，每个单体的配体识别位点或受体结合位点分别位于五聚体两个平面上，分别组成配体识别相和效应器相，从而构成特殊的二相性结构。

Employing high-dilute method and 5-fold excess amine prepared two new "two-armed" acyclic diamine intermediates I_a and I_b, which are also intermediates of synthesizing microcyclic compounds, and eight aromatic Schiff bases, II_, were synthesized from reaction of I_a or I_b condensing with different aromatic aldehydes. Their composition and structure were characterized by Elemental analysis, IR, UV-Vis, LIF,~1HNMR and MS. The hydrogen bond interactions and MS fragmental patterns were also discussed.3. Several novel transition metal complexes using II_a as ligand were synthesized and identified by Elemental analysis, IR, UV-Vis,~1HNMR and molar conductivity.

1，采用高度稀释及胺过量五倍的方法合成了两个具有吡啶双酰胺臂的非环二胺Ⅰ_a和Ⅰ_b，并以它们为中间体进一步合成了八个芳香席夫碱Ⅱ_a-Ⅱ_h，通过元素分析及各种波谱测试鉴定了它们的组成与结构，对化合物的UV-Vis、LIF、IR、~1HNMR及MS进行了较为详细的讨论，还探讨了席夫碱的氢键相互作用及质谱裂解方式； 2，以席夫碱Ⅱ_a为配体合成了几个新型的过渡金属配合物，并通过元素分析、UV-Vis、IR、~1HNMR、摩尔电导及DTA—TG对其进行了表征，讨论了化合物的配位情况及配体在配位中的脱质子行为。

According to the clear water experiment, aeration performance of the new equipment is good with high total oxygen transfer coefficient and oxygen utilization ratio.

曝气设备的动力效率在叶轮转速为120rpm～150rpm时取得最大值，此时氧利用率和充氧能力也具有较高值。

The environmental stability of that world - including its crushing pressures and icy darkness - means that some of its most famous inhabitants have survived for eons as evolutionary throwbacks, their bodies undergoing little change.

稳定的海底环境─包括能把人压扁的压力和冰冷的黑暗─意谓海底某些最知名的栖居生物已以演化返祖的样态活了万世，形体几无变化。