配合物[Cu（phen）2Cl]·ClO4·H2O的合成和晶体结构

合成了新配合物[Cu（phen）2Cl]·ClO4·H2O（phen=o—phenanthroline）,并用IR和X射线单晶衍射法对其结构进行了表征．晶体结构解析表明,标题配合物属单斜晶系,空间群为P2（1）／n,晶胞参数α=1．18086（8）nm,b=1．52855（10）nm,c=1．29572（9）nm,α=90°,β=93．1770（10）°,γ=90．000°,V=2．3352（3）nm^3,Z=4,Dc=1．641Mg／m^3,Mr=576．86,μ=1．210mm^-1,F（000）=1172,偏差因子R1=0．0481,ωR2=0．1424．在配合物[Cu（phen）2Cl]·ClO4·H2O中,Cu（Ⅱ）离子处于四个N原子和一个Cl^-离子构成的三角双锥几何构型中．分子间利用氢键作用,π-π堆积作用形成二维层状结构．层与层间通过弱氢键作用形成三维空间结构．     

三元钴配合物[Co（NCS）2（ql）2]（q1=喹啉）的合成及其晶体结构和荧光性质

合成了含异硫氰酸根和喹啉（q1）混合配体的钴配合物[Co（NCS）2（q1）2];利用红外光谱、紫外光谱和X射线单晶衍射等手段对其结构进行了表征;研究了配合物在室温下的荧光发射光谱特性．单晶结构解析结果表明,标题化合物属于单斜晶系,P21／c空间群,晶胞参数为：a=1．48633（5）nm,6=0．84444（3）nm,c=1．54116（5）nm,β=92．093（2）,V=1．9330（2）nm^3,Z=4,Dc=1．489g／cm^3,μ=1．116mm^-1,F（000）=884,R1=0．0322,wR2=0．0786．配合物中钴离子采用四配位的四面体配位构型,晶体堆积中通过π-π作用形成一维超分子结构．     

镍配合物[Ni（phen）：（tovsb）]·4H2O的合成与晶体结构

以牛磺酸、邻香草醛为原料,合成了配体牛磺酸缩邻香草醛席夫碱,再用所得配体与醋酸镍、邻菲啰啉作用,合成了配合物[Ni（phen）2（tovsb）]·4H2O（phen=邻菲啰啉,tovsb=牛磺酸缩邻香草醛席夫碱）,其结构通过IR,元素分析和x-射线单晶衍射法测定。标题配合物属三斜晶系,PI空间群;α=1．04661（16）,b=1．2303（2）,c=1．4063（2）nm,α=83．714（4）,β=88．539（3）,γ=69．398（3）°,V=1．6947（5）nm^3,Z=2。结构分析表明,两个邻菲哕啉共提供四个配位原子,牛磺酸缩邻香草醛席夫碱提供两个配位原子,中心Ni（Ⅱ）离子是一个六配位的畸变八面体结构。该聚合物中含有四个结晶水分子,水分子通过氢键作用,形成了一个六聚水簇。配合物分子通过氢键和π-π堆积作用形成三维超分子结构。     

[Ni（Dpq）（1,3-BDC）]·6H2O的水热合成,晶体结构及电化学行为

以间苯二甲酸（1,3-H2BDC）和二吡啶（3,2-d：2,3′-f）-二氮萘（Dpq）为混合配体,利用水热法合成了一种新的过渡金属配合物[Ni（Dpq）（1,3-BDC）].6H2O,并通过X射线单晶衍射法对其结构进行了测定.结果表明,该化合物属单斜晶系,P2（1）/c空间群,晶胞参数为：a=0.715 98（9）nm,b=1.606 0（2）nm,c=2.410 6（3）nm,Mr=612.15,β=98.482（2）°,V=2.741 5（6）nm3,Z=4,Dc=1.551 g.cm-3,F（000）=1 268.0,μ=0.779 mm-1,R1=0.049,wR2=0.129 9.配合物中镍离子通过Dpq的两个螯合氮原子、1,3-BDC的一个羧基氧原子和三个配位水的氧原子配位,形成六配位的扭曲八面体结构.配合物结构单元间通过氢键和π-π堆积作用形成2D超分子网络结构,并对该配合物的电化学行为进行了研究.     

[Ni（Dpq）（1,3-BDC）]·6H2O的水热合成,晶体结构及电化学行为

以间苯二甲酸（1,3-H2BDC）和二吡啶（3,2-d：2,3′-f）-二氮萘（Dpq）为混合配体,利用水热法合成了一种新的过渡金属配合物[Ni（Dpq）（1,3-BDC）].6H2O,并通过X射线单晶衍射法对其结构进行了测定.结果表明,该化合物属单斜晶系,P2（1）/c空间群,晶胞参数为：a=0.715 98（9）nm,b=1.606 0（2）nm,c=2.410 6（3）nm,Mr=612.15,β=98.482（2）°,V=2.741 5（6）nm3,Z=4,Dc=1.551 g.cm-3,F（000）=1 268.0,μ=0.779 mm-1,R1=0.049,wR2=0.129 9.配合物中镍离子通过Dpq的两个螯合氮原子、1,3-BDC的一个羧基氧原子和三个配位水的氧原子配位,形成六配位的扭曲八面体结构.配合物结构单元间通过氢键和π-π堆积作用形成2D超分子网络结构,并对该配合物的电化学行为进行了研究.     

配合物[Cu（phen）2Cl]·ClO4·H2O的合成和晶体结构

合成了新配合物[Cu（phen）2Cl]·ClO4·H2O（phen=o—phenanthroline）,并用IR和X射线单晶衍射法对其结构进行了表征．晶体结构解析表明,标题配合物属单斜晶系,空间群为P2（1）／n,晶胞参数α=1．18086（8）nm,b=1．52855（10）nm,c=1．29572（9）nm,α=90°,β=93．1770（10）°,γ=90．000°,V=2．3352（3）nm^3,Z=4,Dc=1．641Mg／m^3,Mr=576．86,μ=1．210mm^-1,F（000）=1172,偏差因子R1=0．0481,ωR2=0．1424．在配合物[Cu（phen）2Cl]·ClO4·H2O中,Cu（Ⅱ）离子处于四个N原子和一个Cl^-离子构成的三角双锥几何构型中．分子间利用氢键作用,π-π堆积作用形成二维层状结构．层与层间通过弱氢键作用形成三维空间结构．     

铈配合物[Ce（4-aba）3（4-abaH）（phen）2]·H2O的合成与晶体结构

采用普通溶液法合成了单核铈配合物[Ce(4-aba)3(4-abaH)(phen)2]·H2O(4-abaH=对氨基苯甲酸,phen=1,10-邻菲罗啉)。X射线单晶衍射结果表明:该配合物晶体属单斜晶系,P21/c空间群,晶胞参数:a=1.8896(4)nm,b=1.9755(4)nm,c=1.3200(3)nm,β=97.235(2)°,V=4.8880(18)nm3,Mr=1064.06,Dc=1.446 g·cm-3,Z=4,μ=0.996 mm-1。中心铈离子的配位环境为变形的三帽三棱柱体。配合物存在着π-π堆积及丰富的氢键,将配合物扩展为三维超分子结构。     

两种有机磺酸配合物的合成、表征及与DNA键合性质（英文）

合成了2个新型有机磺酸配合物,[Cd（phen）2（ans）2]·H2O（1）和[Pb（phen）2（ans）2]·H2O（2）（phen=1,10-邻菲咯啉,ans=4-氨基-1-萘磺酸根）,通过元素分析、红外光谱等对配合物进了表征,用X-射线单晶衍射方法测定了配合物的单晶结构。应用紫外-可见吸收光谱、荧光光谱及粘度测定方法研究了配合物与ctDNA的作用,发现2个配合物均以插入和氢键两种模式与ctDNA发生作用。     

二（2-吡啶基）甲二醇·亚氨基二乙酸根合镍（Ⅱ）配合物的合成与表征

合成了一个单核镍配合物Ni（H2bpd）[NH（CH2COO）2]（H2O）2（H2bpd=bis（2-pyridyl）methanediol,二（2-吡啶基）甲二醇）,并用IR和X射线单晶衍射进行结构测定.该化合物属单斜晶系,P2（1）/c空间群,晶胞参数：a=1.031 05（3）,b=1.003 52（3）,c=1.747 270（10）nm,β=106.232（2）°,Z=4,Dc=1.638 g/cm3,μ=1.169 mm-1,F（000）=888,R=0.087 4,wR2=0.172 8.此化合物中金属镍原子与两个配体中的三个氮原子和三个氧原子螯合,形成扭曲的八面体构型.在氢键,π-π堆积和CH-π作用下,化合物形成了3D结构.     

由己二酸根桥联的新颖双U形四核铜配合物：[Cu4（phen）4（NO3）2（H2O）2（adip）4／4（Hadip）4／2]（NO3）2·2H2O

邻菲罗啉、己二酸和硝酸铜在水溶液中反应得到一种新颖的四核铜配合物[Cu4（phen）4（NO3）2（H2O）2（adip）4／4（Hadip）4／2]（NO3）2·2H2O（其中H2adip=己二酸）,并经元素分析,IR,UV,TG和X射线单晶衍射分析表征．该配合物晶体属三斜晶系,P1空间群,a=1．0146（2）nm,b=1．0261（2）nm,c=1．8285（4）nm,α=91．66（3）°,α=92．19（3）°,γ=112．76（3）°,V=1．7520（6）nm3,Z=1,Dc=1．639g／cm3,C66H66Cu4N12O28,Mr=1729．47,F（000）=886,μ=1．294mm^-1,R1和wR2分别为0．0447和0．1141．己二酸根通过4个羧基O将两个U形双核亚单元联接成具有一个对称中心的双U形四核结构,其中每个U型亚单元包含晶体学上不对称的2个Cu（Ⅱ）原子．每个Cu（Ⅱ）离子均处于畸变的四方锥配位环境,除与己二酸氢根（Hadip）、己二酸根（adip）和邻菲罗啉（Phen）的N,O配位形成锥底平面外,其中的1个Cu（Ⅱ）与水配位,而另一个Cu（Ⅱ）则与硝酸根配位．配合物晶体结构中存在着广泛的氢键和π…π作用．     

Characterization and Crystal Structure of Bis(N''-ethyl-N-piperazinly-carbodithioato-S ,S '') Nickel(Ⅱ) Complex: Ni(S2CNC4H8NC2H5)2

The title compound has been prepared and characterized by elemental analysis,infrared and FT-Raman spectra, and thermal analysis. The crystal and molecular structures of bis(N'-ethyl-N-piperazinly-carbodithioato-S,S') nickel(Ⅱ) complex (Ni(S2CNC4H8NC2H5)2) were determined by X-ray diffraction methods. The crystal crystallizes in the triclinic system, space group P1 with a = 0.66770(15), b = 0.85066(12), c = 0.8973(2) nm, α = 84.97(2), β =78.71 (2), γ =80.12(2)°, Mr = 437.34, V = 0.49160(17) nm3, Z = 1, Dc = 1.477 g/cm3, F(000) = 230, R = 0.0422and wR = 0.1290. In the structure, the central Ni atom is coordinated in a slightly distorted square plane by four S atoms from two bidentate S2CNC4H8NC2H5 ligands with the four Ni-S bond distances in the range of 0.22065(10)～0.22076(9) nm. The IR and FT-Raman spectral data are in agreement with the structural data. Thermal analysis indicates that the title compound decomposes completely at the temperature of 799.88 ℃, leaving NiS.     

Characterization and Crystal Structure of Bis(N'-ethyl-N-piperazinly-carbodithioato-S,S') Nickel(II) Complex:Ni(S_2CNC_4H_8NC_2H_5)_2

1 INTRODUCTION The ability of dialkyldithiocarbamate anion, -S2- CNR2 (dtc) ligand, to bind metal has been known for many years[1, 2]. It forms a chelate with virtually all transition elements and is proven to be a versatile chelating agent for the separation and extract of metals in analytical chemistry and mineral floa- ting[3～5]. Water soluble dialkyldithiocarbamate com- plexes have been tested in various medical appli- cations[6]. Some of substituted dithiocarbamate salts also show …     

Synthesis, Crystal Structure and Electrochemical Properties of Complex[Ni(2,2''-bipy)2(ClC6H4COO)(H2O)](ClO4)

A new nickel(Ⅱ) coordination complex [Ni(2,2'-bipy)2(ClC6H4COO)(H2O)](ClO4) was synthesized by self-assembly reaction of m-chlorobenzoic acid, 2,2'-bipy and Ni(ClO4)2(6H2O. The crystal of the title compound belongs to monoclinic system, space group P21/n with a = 0.77764(14), b = 2.6572(5), c = 1.3637(2) nm, β = 96.456(3)°, V = 2.8000(9) nm3, Dc = 1.528 g/cm3, Z = 4, Mr = 644.10, μ(MoKα) = 0.937 mm-1, F(000) =1320, R = 0.0549 and wR = 0.1164. Structure analysis shows that the nickel(Ⅱ) ion is coordinated with four nitrogen atoms from two bipys as well as two oxygen atoms from m-chlorobenzoic acid and water, respectively, giving a distorted octahedral coordination geometry. The cyclic voltametric behavior of the complex is also presented.     

配合物[Sm(o-MOBA)3(phen)·H2O]2·4H2O的合成与晶体结构

The title complex [Sm(o-MOBA)₃(phen)·H₂O]₂·4H₂O has been synthesized by the reaction of SmCl₃·6H₂O with o-methoxybenzoic acid and 1,10-phenanthroline in 1∶3∶1 molar ratio. The crystal structure was determined by X-ray single crystal diffraction. The crystal belongs to triclinic system, space group P1 with a=1.203(10) nm, b=1.293(10) nm, c=1.306(11) nm, α=64.50(10)°, β=81.93(10)°, γ=74.81(10)°. The molecular structure shows that the Sm³⁺ ion coordinates to nine atoms. The carboxylate groups are bonded to the samarium ion in three modes: monodentate, bidentate chelating, tridentate chelating-bridging. CCDC: 603740.     

8-羟基喹啉镍配合物[Ni2(HQ)3Q3]ClO4的晶体结构

8-羟基喹啉(HQ)是在化学分析中常用的试剂, 它与铝离子形成的配合物(AlQ3)也是目前有机电致发光领域最引人注目的明星分子. 在化学工业中, 8-羟基喹啉是有效的稀土及过渡金属的萃取剂, 它同中心离子的配合强度随条件改变亦有很大变化. 我们在钇和镍离子共同存在的条件下得到了标题化合物, 并测得其单晶结构.     

一种具有一维链状结构的4f-3d双核配合物[Eu(DMSO)3(H2O)3Cr(CN)6]·H2O(DMSO=二甲亚砜)的合成、晶体结构和磁性研究

0 IntroductionIn the last decade, cyano-bridged prussian blueanalogues[1￣12] have been intensively studied from theviewpoint of use as functionalized molecule-basedmagnets[13￣18]. For typical magnetic materials such asmetal alloys and metal oxides, rare…     

一种镧系-过渡金属二维氰桥配合物[Nd(DMSO)2(H2O)2][Ni(CN)4]Cl(DMSO=二甲亚砜)的合成和晶体结构(英)

The cyano-bridged bimetallic complex [Nd(DMSO)₂(H₂O)₂][Ni(CN)₄]Cl with two-dimensional gridding molecule structure was synthesized and characterized. In the complex all four cyano groups of unit Ni(CN)₄^2- are bound to Nd³⁺ ions. The crystal data for the title complex: monoclinic, space group P2₁/c, a=0.780 0(3) nm, b=1.509 7(6) nm, c=1.683 2(6) nm, β=115.231(14)°, Z=4, μ=4.311 mm^-1, final R₁=0.020 9, wR₂=0.045 4. CCDC: 272214.     

N-苯基亚氨基二乙酸镍二维网状配合物的合成及结构表征(英)

A new nickel(Ⅱ) coordination compound [Ni(L^2-)(2,2′-bipy)(H₂O)]·2H₂O (H₂L=phenyliminodiacetic acid) was obtained by self-assembly of phenyliminodiacetic acid, 2,2′-bipy, and NiCl₂·6H₂O in the mixed solvent of water and ethanol (V∶V=1∶1). The complex was characterized by elemental analysis, IR spectra, and X-ray crystallography analysis. The crystal is monoclinic, space group P2₁ /c with a=0.867 4(2) nm, b=0.907 3(1) nm, c=2.643 5(5) nm, β=91.01(1)°, V=2.080 2(4) nm³, Z=4, F(000)=992, D_c=1.520 Mg·m^-3, R₁=0.027 0 and wR₂=0.067 5. In the complex, nickel (Ⅱ) atom is coordinated with a distorted octahedral geometry and extensive hydrogen bonds link the complexes into a 2D network structure. CCDC: 244926.     

Synthesis, Crystal Structure and Electrochemical Properties of Complex [Ni(2,2’-bipy)_2(ClC_6H_4COO)(H_2O)](ClO_4)

1 INTRODUCTION Nickel is vital for organism as a trace element and it often acts as component or secondary factor of enzyme. In the latest two decades, biological inor- ganic chemistry of nickel has become one of the hottest fields and the coordination chemistry of nic- kel has made a great progress[1]. Complexes built upon organic aromatic carboxylic acid and metallic ion have attracted chemists’ interest for years due to their potential applications in material, medicine, molecular ele…     

配位聚合物[Mn(2，4，6-TMBA)2(H2O)3]n·2nH2O的水热合成和晶体结构

The title compound, [Mn(2,4,6-TMBA)₂(H₂O)₃]_n·2nH₂O(1), where 2,4,6-TMBA=2,4,6-trimethylbenzoic acid, was synthesized and its crystal structure was determined by X-ray diffraction analysis. The crystal is of monoclinic, space group C2/c with a=2.929 9(6) nm, b=1.036 4(2) nm, c=8.222 04(17) nm, V=2.494 7(9) nm³, Z=4, M=471.40, D_c=1.255 g·cm^-3, μ=0.571 mm^-1, F(000)=996, R_int=0.029 4, R=0.037 6 and wR=0.094 9. The Mn atoms are octahedrally coordinated by two O atoms of two ligands and four O atoms of water. The carboxyl group coordinates to Mn(Ⅱ) in the mode of monodentate, while the O atoms of water molecules coordinates in bridging mode. The complex shows a one-dimensional chain structure bridged by water molecules. CCDC: 297750.