配位

Cu and Co ions are coordintated with six oxygen atoms from two water molecules and four ligands to form an octahedral geometry. Each ligand links two metal ions in a μ2-bridge coordination mode and two-dimensional wavelike structures are formed.

Cu和Co均为六配位，八面体构型，每个金属离子与4个配体和2个水分子配位，每个配体采取μ2-桥联模式，形成二维层状结构。

By means of UV-vis spectrophotometer, the complex abilities of calix [4] arene ligands with metal ions were researched, and the effect of solvent systems was discussed.

使用紫外-可见分光光度法研究了杯[4]芳烃配体与金属离子的络合性质，并考虑了溶剂对配体与金属离子配位的影响，评价了杯[4]芳烃的不同取代基对过渡金属离子及稀土离子的配位作用。

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。

In compound 1, Co is in a distorted octahedron environment with four nitro-gen atoms from the tripodal ligand and two oxygen atoms from the bridged oxalate, and the molecule is a dimmer-ic structure consisting of two LCo unites linked by bridging oxalate.

在配合物1中，Co与来自三脚架配体的4个氮和草酸根桥联配体的2个氧原子配位，处于扭曲八面体配位环境。由草酸根桥联两套LCo，构成了一个双核结构。

The complexes 7 and 8 with mixed ligands 1, 2-bidentate thiolate and monodentateP〓 or PBu〓 ligands were synthesized from "building block"〓 L = P〓 or〓 through "trans-substitution" reaction of S and N atoms from mpt〓.

在14中，Zn为〓四配位的四面体构型，并通过分子内和分子间氢键形成〓维链。15中，Zn为〓五配位的四方锥构型，配位的〓来自2，2'-二硫水杨酸发生的脱硫反应。

The polymerization mechanisms of DTC, TMC and CL initiated by Ln 〓 were fully studied for the first time, and proved to be a"coordination insertion anionic mechanism". Monomer coordinated to rare earth metal on the carbonyl group, and opened ring via acyl-oxygen bond cleavage, forming a growing chain.

本文首次研究了Ln〓引发DTC、TMC和CL聚合的机理，证实都符合&配位插入阴离子机理&：单体首先以环外羰基和引发剂中稀土原子配位，并发生羰基加成，随之通过酰氧键断裂开环而插入到Ln-O键中实现链引发，然后各单体重复上述稀土原子参与的配位、加成、开环、插入聚合步骤，活性链在Ln-O端增长。

The ESR data of 3f suggest that Cu〓 is in a distorted tetrahedral field, that is to say, Cu〓 is coordinated to three tertiaty nitrogen atoms and one chloride anion.

为了探测模型化合物中Cu〓的配位情况和几何构型，采用相同的方法合成和表征了杂双核化合物3f，ESR信号结合质谱信息表明杂双核化合物3f中，Cu〓是四配位的，即它与一个C1〓和三个叔铵氮原子配位而处于变形的四面体场中。

The ESR parameters of 4g strongly indicate that Cu〓 in complex 4g has a trigonal-bipyramidal environment, that is to say, Cu〓 is coordinated to four tertiaty nitrogen atoms and one chloride anion.

为了探测模型化合物中Cu〓的配位情况和几何构型，采用相同的方法合成和表征了杂双核化合物4g，ESR研究结合质谱信息表明在杂双核化合物4g中，Cu〓是五配位的，即它与一个Cl〓和四个叔铵氮原子配位而处于三角双锥场中。

Quantitative analysis of the EXAFS spectra showed that the microscopic structure of Znon anatase TiO2 is four coordinate complex, and there are at least two types of bonding based on the average Ti-Zn distances in the second sphere. Two different geometry configurations of single-corner and double-corner for adsorption on the (101) surface cluster were calculated using DFT method.

EXAFS结果表明，Zn在吸附时由自由水合状态下的Zn-O六配位八面体结构向四配位四面体结构转化，中心Zn原子的第二配位层存在两种不同的Zn-Ti距离（R1=0.371和R2=0.332nm）。

This one mode pays close attention to network credence foundation of the businessman very much.

这一模式非常关注商人的网络信用基础。

Cell morphology of bacterial ghost of Pasteurella multocida was observed by scanning electron microscopy and inactivation ratio was estimated by CFU analysi.

扫描电镜观察多杀性巴氏杆菌细菌幽灵和菌落形成单位评价遗传灭活率。