配位体

All the compounds are characterized by IR and elemental analysis.we design and prepare a bipyridinium supramolecular compound and six coordination compounds, which are also characterized by IR, elemental analysis and X-ray structure analysis. According to X-ray structure analysis, hydrogen bonds and n-n stocking interactions participate in the architecture of three-dimensional framework [H2L1 (NO3)2 (H2O)2]n; one-dimensional zigzag coordination polymer [Hgl21.5CH3OH]n; binuclear metallamacrocycle (HgI2L2)2 3H2O; helical double-stranded one-dimensional coordination polymer [Co2(L2)2-2CH3OH]n; double-stranded one-dimensional coordination polymer [Co2(L3)2-CH3OH-CH3CN]n; and three-dimensional compound [Cu(C5H4NCOO)2(H2O)2]-H2O with hydrogen bonds, three-dimensional coordination polymer {[Cd(C5H6NCOO)2H2O]-DMF}n, which are indirectly obtained from the precursor ligand L3 through metal ion induced the hydrolysis of diamide and self-assembled with the hydrolyzate.

我们首次合成了一个双吡啶鎓超分子化合物和六个过渡金属配合物，并通过IR谱，元素分析和X-ray晶体衍射分析对它们进行了表征。X-ray晶体结构分析表明：超分子化合物[H_2L1·(NO_3)_2·(H_2O)_2]_n是由多种氢键和芳香环间的π-π堆积作用构建的三维无限结构；[HgI_2(L1)·1.5CH_3OH]_n是一维锯齿状配位聚合物；(HgI_2L2)_2·3H_2O是双核金属大环化合物；[Co_2(L2)_2·2CH_3OH]_n是具有一维双螺旋结构的配位聚合物；[Co_2(L3)_2·CH_3OH·CH_3CN]_n为一维双链结构的配位聚合物；以及由非直线形配体L3在金属离子Cu和Cd的诱导作用下发生水解，并且金属离子与水解产物——异烟酸根离子自组装，形成了三维氢键超分子化合物[Cu(C_5H_4NCOO)_2(H_2O)_2]·H_2O和三维配位聚合物{[Cd(C_5H_6NCOO)_2H_2O]·DMF}_n。

The formation mechanism of the screw structures on the surfaces of polytype crystals is discussed according to the theoretical model of anionic coordination polyhedron growth units.

本文用负离子配位多面体生长基元理论模型讨论了多型性晶体表面螺旋结构的形成，提出在多型性晶体中配位多面体呈层状分布，配位多面体的面为层的边界，上、下层负离子配位多面体不是呈镜象对称的，在三方晶系和六方晶系的晶体中是沿晶轴a、b错开，上、下两层负离子配位多面体体呈交叉对应，从而达到稳定平衡。

Benzylidene[1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-2-ylidene]dichloro(2-methylpyridine)ruthenium (62), benzylidene[1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-2-ylidene] dichloro(2,4-dimethylpyridine)ruthen ium (63) introduce ortho substituted pyridine as dissociating ligand to weaken Ru-N bondand accelerate dissociation of pyridine derivative ligand through steric hindrance.

在钌卡宾配合物[1，3-二-(2，6-二甲苯基)-4，5-二氢咪唑基]-苯亚甲基-(2-甲基吡啶)-二氯合钌(62)，1，3-二-(2，6-二甲苯基)-4，5-二氢咪唑基1-苯亚甲基-(2，4-二甲基吡啶)-二氯合钌(63)中，邻位取代的吡啶作为解离配体，通过邻位基团的空间效应削弱钌-氮配位键，使配体更易解离，提高了催化剂的初活性。

The crystal structures have been determined by single-crystal X-ray diffraction.Cadmium atoms in compounds 1 and 2 show an eight-coordinated distorted square-antiprismatic geometry and a seven-coordinated distorted pentagonal bipyramidal geometryrespectively. Copper atoms in compounds 3 and 4 show a six-coordinated distorted threeprismatic geometry and a four-coordinated distorted tetrahedral geometry respectively.

所有配合物的晶体结构都通过单晶X-射线衍射确定：配合物1中的镉离子周围显示八配位的扭曲四方反棱柱构型；而配合物2中的镉离子周围显示七配位的扭曲五角双锥构型；配合物3中的铜离子周围显示六配位的扭曲三棱柱构型；配合物4中的铜离子周围显示四配位的扭曲四面体构型；配合物5中的锌离子周围显示六配位的扭曲八面体构型。

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。

Both crystallographically unique Zn atoms exit as an octahedral geometry. The four equatorial positions of Zn1 atom are occupied by the carboxylate-oxygen atoms of the two tartrates, and the two oxygens of the left four carboxylate-oxygen atoms coordinate to two different Zn2 atoms, respectively, forming infinite coordination polymer chains. The left two of the trans equatorial positions of Zn2 atom are completed with two oxygen atoms of two water molecules. The axial positions of both Zn atoms are occupied by the nitrogen atoms from different 4,4'-bipyridine molecules to give a 2D rectangular-grid layers with a cavity dimension of 0.51165(3)nm×1.13896(5) nm. A three dimensional network is formed by the crystallization water chains joined by the carboxylate-oxygen atoms through hydrogen-bonding interactions.

两个晶体学独立的Zn原子均为八面体构型，其中Zn1原子赤道配位点被2个酒石酸根中的4个羧酸根氧螯合配位， 2个酒石酸根中剩下的4个羧酸根氧中的2个分别与2个Zn2原子连接形成无限一维链， Zn2原子的另外2个反式赤道配位点被2个水分子氧占据，同时这两种Zn原子的轴向配位点均被4，4'-联吡啶的氮原子占据，形成具有矩形格子[0.51165(3) nm×1.13896(5) nm]的二维层状结构，游离的2个水分子通过氢键作用形成二聚体，并与酒石酸根中未与Zn配位的羧酸氧连接，把二维层状结构连接成三维网状的超分子结构。

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 order to investigate the relationship between the open-chain ligands and metal ions, and the possibility of the metal complexes used as electroluminescent materials, a new naphthol schiff base ligand which is a open-chain crown and its four transition metal complexes, a new amide type tripodal ligand containing heterocyclic ring, two tripodal ligands (H〓L〓 and H〓L〓) containing phenol schiff bases and their rare earth complexes were synthesized and characterized.

为了进一步研究和探讨开链配体与金属离子的配位作用，以及金属配合物作为电致发光材料的可能性，我们设计合成了含萘酚环的Schiff碱开链冠醚H〓L〓及四种过渡金属(Zn、Ni、Co、Cu)配合物，两个含酚羟基的Schiff碱三足配体H〓L〓和H〓L〓及稀土配合物，一个含杂环的酰胺型三足配体L〓，培养了配体L〓的单晶，确定了其晶体结构。

According to Johnson's Rule and IR spectra, their possible structures are suggested. The bonding parameters of those complexes are calculated by ESR parameters. And the crystal field parameters are calculated by using electronic spectral data. It can be seen that the vanadyl complexes in the solution are ionic complexes and that the α〓 values of those complexes decrease following the increasing of the N donor replacing the O donor of water on the equatorial plane in those complexes. This means that the covalent bonding between vanadium and ligand increases as Ser, Phen or Bipy replace water ligands. The results show the competitive coordinate law that the coordination reactivity of Phen and Bipy is much stronger than that of Ser. The simulation program of ESR is compiled by the theory of ESR in the present work.

测定了VO-丝氨酸二元体系、VO-丝氨酸-邻菲咯啉三元体系和VO-丝氨酸联吡啶三元体系在不同酸度下（pH=1.0～14.0）的乙二醇／水（V／V=1：1）溶液低温ESR谱，发现不同pH下，溶液中具有不同组成的配合物，根据不同pH下ESR谱的变化，利用Johnson的加合规则并结合红外光谱，推测了它们在溶液中的可能结构；利用波谱参数计算了配合物键参数；利用电子光谱数据计算了配合物的晶体场参数，讨沦了它们的成配特性，结果表明：VO配合物属离子型配合物，随取代水分子的配体（Ser、Phen或Bipy）数目增加，键参数减小，配合物共价性增强，同时得出这些体系中，生物配体竞争配位规律：Phen和Bipy与VO的配位能力比Ser强。

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。