双核配合物[Cu2(L-Asp)(phen)3(NO3)](NO3)·4H2O的合成及晶体结构

The new complex [Cu₂(L-Asp)(phen)₃(NO₃)](NO₃)·4H₂O (L-Asp=L-aspartic acid and phen=1,10-phenanthroline) has been synthesized and its crystal structure has been determined. The complex crystallizes in the monoclinic with space group P2₁/c, The cell parameters are: a=1.261 3(2) nm, b=1.500 8(4) nm, c=2.230 7(4) nm, β=99.55(1)°, and V=4.164 1(16) nm³，D_c=1.587 g·cm^-3. The complex contains two six-coordinated copper ions, and these two copper ions are connected together by L-aspartate to give rise to a binuclear structure. Hydrogen bonds and π-π stacking interactions are observed in the complex. CCDC: 249250.     

配合物[La(pic)3(phen)2]·CH3CN的合成及晶体结构

The Lanthanum picrate complex with 1,10-phenanthroline was synthesized, whose chemical formula can be written in [La(pic)₃(phen)₂]·CH₃CN. The crystal Xray diffraction analysis shows that crystal belongs to monoclinic with space group P2₁/a and unit cell parameters:a=17.072(4),b=16.083(4),c=17.789(4),β=106.34(2)°,V=4687(4)³, Z=4,Dc=1.735g·cm³, μ=10.106cm¹,F(000)=2448,R=0.0589,Rw=0.0589. The coordination number of La³⁺ is nine. Acetonitrile, a solvent molecule is not coordinated. Between three Pic ligands, that possesses 2 bidentate forms six member ring with La. The other is unidentate ligand. As usually, phen is bidentate ligand.     

[Mn(H2O)(phen)2(PAc)](ClO4)的合成、红外光谱及晶体结构

The complex [Mn(H₂O)(phen)₂(PAc)](ClO₄) was synthesized and investigated by elemental analysis, molar conductivity, IR spectrum and X-ray diffraction methods, where phen=1,10-phenanthroline and PAc=phenylac-etate group. The complex crystallizes in the triclinic space group,P1 , with a=0.9289(2)nm,b=1.2425(2)nm,c=1.4791(3)nm,α=114.34(3)°,β=91.25(3)°,γ=104.65(1)°,V=1.4893(4)nm³,Z=2,F(000)=686,D_c=1.489g·cm^-3,μ=0.589mm^-1. The Mn(Ⅱ) ion has a six-coordinate distorted-octahedral geometry with the four nitrogen atoms of two phen ligands,a coordinated-water oxygen atom, and a carboxylate oxygen atom of PAc^-. There is π-π stacking interaction between two phen rings from two neighbor molecules.     

配合物[Cu(H2O)(C12H8N2)2].2ClO4的合成、性质及晶体结构

合成了配合物[Cu(H2O)(C12H8N2)2]*2ClO4(C12H8N2为1,10-邻菲咯啉),用元素分析、摩尔电导、红外光谱及电子光谱进行了表征,并测定了配合物的晶体结构.该晶体属单斜晶系,空间群为CC;晶胞参数a=1.9177(2)nm,b=0.81994(0)nm,c=1.62458(14)nm,β=100.104(6)°;V=2.5419(4)nm3,Z=4,F(000)=1300,DC=1.693g/cm3,R=0.0430,wR=0.1195.中心铜(Ⅱ)离子与两个1,10-邻菲咯啉的四个N原子和一个水分子的氧原子配位,形成了一个变形的三角双锥结构.     

配合物[Ce(CH2=C(CH3)COO)2(NO3)(Bipy)]的合成及晶体结构

The new complex [Ce(CH₂=C(CH₃)COO)₂(NO₃)(Phen)]₂ was prepared in ethanol-aqueous solution with 8-hydroxyquinoline as the acidity regulator. Its crystal structure was determined by X-ray diffraction analysis. The title complex is triclinic, space group P1, a=1.00832(3)nm, b=1.02858(8)nm, c=1.12350(8)nm, α=113.9250(10)°, β=103.8210(10)°, γ=81.4650(10)°, V=1.03252(14)nm³, Z=1, D_c=1.700g·cm^-3, F(000)=522. The coordination number of Ce³⁺ is nine. CCDC: 211278.     

配合物[Tb(p-ClBA)3(phen)]2的结构和性能

Terbium p-chlorobenzoate complex with 1,10-phenanthroline, [Tb(p-ClBA)₃(phen)]₂(1) has been obtained in the ethanol solution, where p-ClBA=p-chlorobenzoate and phen=1,10-phenanthroline. It crystallizes in the triclinic system, space group P1, a=1.008 1(2) nm, b=1.185 7(2) nm, c=1.431 1(3) nm, α=110.826(4)°, β=96.436(4)°, γ=101.737(4)°, Z=2. The two Tb(III) ions are linked by four carboxylate groups through their bidentate bridging modes, forming a dimeric unit with crystallographic inversion center. Each terbium ion has an eight-coordinate geometry with four of the coordination sites occupied by four oxygen atoms from the four bridging carboxylates, respectively, two oxygen atoms from bidentate carboxylate, and the remaining positions occupied by two nitrogen atoms from a 1,10-phenanthroline molecule. The Tb(III) ion adopt a distorted square antiprism coordination geometry. The excitation and luminescence data observed at room temperature show that the title complex emits very intensive green fluorescence under ultraviolet light. The result of thermal analysis indicates the complex [Tb(p-ClBA)₃(phen)]₂ is quite stable to heat. CCDC: 221921.     

配合物[Cu(H2O)(C12H8N2)2]·2ClO4的合成、性质及晶体结构

合成了配合物 [Cu(H2 O) (C12 H8N2 ) 2 ]·2ClO4 (C12 H8N2 为 1,10 邻菲咯啉 ) ,用元素分析、摩尔电导、红外光谱及电子光谱进行了表征 ,并测定了配合物的晶体结构。该晶体属单斜晶系 ,空间群为CC;晶胞参数 :a =1.9177(2 )nm ,b =0 .81994(0 )nm ,c=1.6 2 45 8(14)nm ,β =10 0 .10 4(6 )° ;V =2 .5 419(4)nm3,Z =4,F(0 0 0 ) =130 0 ,DC=1.6 93g/cm3,R =0 .0 430 ,wR =0 .1195。中心铜 (Ⅱ )离子与两个 1,10 邻菲咯啉的四个N原子和一个水分子的氧原子配位 ,形成了一个变形的三角双锥结构     

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.     

配合物[Cu2(C4H2O6)(Phen)2(H2O)]·8H2O的合成、晶体结构和抗菌活性

在pH≈10的乙醇-水溶液中以硫酸铜、酒石酸和邻菲咯啉反应合成了分子式为[Cu₂(C₄H₂O₆)(Phen)₂(H₂O)]·8H₂O的配合物单晶。用X-射线单晶衍射测定了晶体结构，并研究了配合物对大肠杆菌、金黄色葡萄球菌、枯草杆菌的抗菌活性。晶体属单斜晶系，空间群P2₁。标题化合物为双核铜配合物，2个铜原子配位数不同。Cu(1)是五配位的，具有扭曲的四方锥结构，5个配位原子分别是酒石酸的去质子的羟基氧和羧基氧、邻菲咯啉的2个氮原子及1个水分子的氧原子。Cu(2)为四配位的，配位原子分别是酒石酸的去质子的羟基氧和羧基氧和邻菲咯啉的2个氮原子。分子中Cu(1)…Cu(2)间的距离为0.354 8 nm。存在分子内邻菲咯啉-邻菲咯啉的面—面π-π相互作用，面间距为0.381 3 nm。配合物对大肠杆菌、金黄色葡萄球菌、枯草杆菌具有较强的抗菌活性。     

[Ag(4，4′-bpy)]+及[Zn(phen)2(H2O)2]2+两种配合物的合成、结构与荧光性质

用水热法和溶液法分别合成了2个新的配合物{[Ag(4,4′-bpy)]·3-HSBA.H2O}n(1)和[Zn(phen)2(H2O)2]·(A-2,5-DSA)·3H2O(2)(3-HSBA=3-羧基苯磺酸根,A-2,5-DSA=苯氨-2,5-二磺酸根,4,4′-bpy=4,4′-联吡啶,phen=1,10-邻菲咯啉),用X-射线单晶衍射结构分析方法测定了其晶体结构。配合物1是一维链状结构。在1个不对称单元中包含1个[Ag(4,4′-bpy)]+阳离子,1个3-羧基苯磺酸根阴离子和1个晶格水分子。Ag髣离子与2个4,4′-联吡啶的2个氮原子配位。配合物2是单核结构。在1个不对称单元中包含1个[Zn(phen)2(H2O)2]2+阳离子,1个苯氨-2,5-二磺酸根阴离子和3个晶格水分子。Zn髤离子与2个1,10-邻菲咯啉的4个氮原子和2个水氧原子配位。配合物1和2中,配位阳离子、抗衡阴离子以及晶格水分子之间存在丰富的氢键,进而构筑成超分子网络结构。配合物的荧光均来自于配体的π-π*电子跃迁。     

镧系稀土四元配合物Ln(NO_3)_2(phen)_2(CH_3COCHCOCH_3)的合成及晶体结构表征

以乙酰丙酮(Hacac)、邻菲咯啉(phen)、硝酸根为配体,8-羟基喹啉为酸度调节剂合成出一个系列的镧系轻稀土四元配合物Ln(NO3)2(phen)2(CH3COCHCOCH3)(Ln=La,Ce,Pr,Nd,Sm)。配合物的结构与性质由元素分析,IR,1HNMR和TGA等表征。单晶Ce(NO3)2(phen)2(CH3COCHCOCH3)·H2O结构经由X射线衍射仪分析表明,晶体属单斜晶系,空间群P21/n,晶胞参数为a=1.11017(8)nm,b=0.98401(7)nm,c=1.34453(10)nm,β=102.0530(10)°,V=1.43641(18)nm3,Dc=1.715g·cm-3,Z=2,F(000)=742。配合物呈单核结构,中心离子Ce髥配位数为10。     

二聚体配合物[Cd(3,5-Me2PhCO2)2(phen)]2的合成、晶体结构及热稳定性分析

芳香羧酸配合物由于具有多样的拓扑结构,且在许多领域里如材料、药物、分子电化学、生物化学及生物制药等领域中表现出潜在的应用价值,近年来。     

[Na(DB18C6)(CH3CN)]2Mo6O19的合成、晶体结构及谱学表征

A novel super-molecular complex, [Na(DB18C6)(CH₃CN)]₂Mo₆O₁₉, was obtained by solvothermal reaction and characterized by elementary analysis, IR, ¹H NMR, gumbc spectrum and X-Ray diffraction experiment. The compound crystallizes in monoclinic space group P2₁/n with a=1.187 1(3) nm, b=2.096 3(6) nm, c=1.415 8(4) nm, β=110.854(5)° and Z=4. The complex contains four basic units: Na⁺, CH₃CN, DB₁₈C₆和Mo₆O₁₉^2-. Sodium ions located in the cavity of dibenzo-18-crown-6 with 6 Na-O bonds and the crown ether-sodium ion complex is supported on the terminal oxygen atoms of the typical Lindqvist isopolyanion Mo₆O₁₉^2- via the coordinative interactions. Mo₆O₁₉^2- located between two DB₁₈C₆ and led to the formation of the “hamburger” structure. The crystal is stabilized by van der waals force and interaction of π-π system. CCDC: 272936.     

配合物Zn(phen)(pimelic acid)2的合成、晶体结构及电化学分析

金属有机配合物在催化、分离、气体存储和分子识别等方面有广阔的应用前景．它们的设计与合成是近年来配位化学领域的一大热点。过去．人们主要将注意力集中在刚性配体配合物的合成上．而有关柔性配体配合物的研究比较少见。庚二酸是一种柔性二元羧酸，它是很好的化工原料。是制造二酯、聚酯、聚酰胺的中间体，是合成润滑油、增塑剂、导热油、表面活性剂、杀菌剂、杀虫剂、粘和剂、热熔涂料的原料，它作为配体可用于构筑配位聚物。     

(NO2Ql)2[Ni(mnt)2]的合成和晶体结构((NO2Ql)+=1-(4-nitrobenzyl)-quilorinium;mnt2-=maleonitriledithiolate)

合成了离子对配合物(NO2Q1)2[Ni(mnt)2],并用元素分析和红外光谱进行了表征.单晶结构分析结果表明三斜晶系,空间群p-1.晶胞参数a=8.2240(16)A,6=10.777(2)A,c=12.137(2)A,α=72.58(3).,β=72.82(3)°,γ=68.78(3)°,V=935.4(3)A3,Z=1.(NO2Ql)+和[Ni(mnt)2]2-分别形成了完全分立的柱状堆积结构.在阴离子堆积柱内,Ni(Ⅱ)离子形成了一维均匀链.阳离子间,比邻的芳环间存在弱的π…π作用.     

配合物[Cu(p-MBA)_2(phen)]的合成、晶体结构及量子化学研究

以醋酸铜、对甲氧基苯甲酸(p-MBA)和邻菲咯啉(phen)为原料在甲醇中反应,合成了一个新的单核铜髤配合物Cu(p-MBA)2(phen),用元素分析和IR等方法对化合物的结构进行了表征。X-射线单晶衍射表明,配合物属单斜晶系,空间群P2/c,晶胞参数:a=1.26503(14)nm,b=0.95588(10)nm,c=1.02488(12)nm,β=105.723(2)°,V=1.1929(2)nm3,Z=2,Dc=1.520g·cm-3,R1[I2σ(I)]=0.0356,wR2[I2σ(I)]=0.0786。该化合物的晶体是由孤立的分子所组成,四配位的铜髤呈畸变的四面体结构,配合物通过分子间弱的C-H…O氢键和π-π堆积作用形成了二维网状结构。对其结构进行量子化学从头计算,探讨了配合物的稳定性、分子轨道能量以及一些前沿分子轨道的组成特征。     

新配合物[Cd(H2O)2(phen)2](PA)2的制备及晶体结构

The new compound was prepared by the reaction of Cd(ClO₄)₂·6H₂O,1,10-phenanthroline (phen)and picric acid (HPA)(ratio 1∶3∶2) in methanol-aqueous solution refluxing for 4 hours. The crystals used for X-ray analysis was obtained by slow evaporation of the solution at room temperature. The crystal compound is in triclinic with space group with a=1.1363(4)nm,b=1.2593(2)nm,c=1.3972(4)nm,α=93.97(2)?,β=100.84(3)?,γ=106.29(2)?,Z=2,V=1.8690(9)nm³,D_c=1.715g·cm^-3, μ(MoKα)=0.677mm^-1,F(000)=972,R=0.0907,wR=0.2240. In the complex, the Cd(Ⅱ) cation is octahedrally coordinated to two 1,10-phenanthroline ligands and two water molecules in cis disposition. As outer sphere, picrate anions are combined with inner by hydrogen bond and static electricity interaction.     

配合物[Cu2(phen)2](SiW12O40)(H2O)7的合成、晶体结构及电化学分析

The title complex has been synthesized by the reaction of silicotungstic acid, 1,10-phenanthroline (phen) monohydrate and cupric acetate. The crystal structure belongs to triclinic system, space group P1 with a=1.158 46(15) nm, b=1.658 8(2) nm, c=1.664 4(2) nm, α=82.090(2)°, β=76.001(2)°, γ=86.531(2)°, and V=3.072 6(7) nm³, D_c=3.887 g·cm^-3, Z=2, F(000)=3 196. R₁=0.086 7, wR₂=0.185 8. The structure shows that the copper(Ⅱ) atom is coordinated with two nitrogen atoms from the one phen and three oxgygen atoms from three water, forming a distorted square-pyramid configuration The cyclic voltametric behavior of the complex is also reported. CCDC: 298807.