一维链状镉(Ⅱ)配位聚合物{[Cd(PAc)2(4，4′-bipy)(H2O)]·4H2O}n的合成、晶体结构及热稳定性研究

A novel one-dimensional coordination polymer, {[Cd(PAc)₂(4,4-bipy)(H₂O)]·4H₂O}_n (HPAc=phenyl acetic acid, 4,4′-bipy=4,4′-bipyridine) was synthesized and characterized by element analysis, IR, TG and X-ray single diffraction crystal structure determination. It crystallizes in the monoclinic space group C2/c with a=2.088 5(4) nm, b=0.839 05(17) nm, c=1.683 5(3) nm, β=105.45(3)° and V=2.843 5(10) nm³, Z=4, M_r=628.94, F(000)=1 288, μ=0.820 mm^-1, R=0.019 9, wR=0.056 5. Each cadmium(Ⅱ) atom is seven-coordinated by four oxygen atoms from two different phenyl acetate groups and two nitrogen atoms from two 4,4′-pyridine ligands and one water molecule, forming a distorted pentagonal bipyramid coordination geometry. Adjacent cadmium(Ⅱ) atoms are bridged by 4,4′-pyridine ligand, constructing a infinite chain along the diagonal direction of ac plane. The Cd…Cd separation within the polymer is 1.164 6(4) nm. The three-dimensional supramolecular structures of the title complexes are constructed by hydrogen bonding interactions and π-π stacking interactions between the benzene rings of HPAc and 4,4′-bipy. CCDC: 616697.     

含有双螺旋链的配位聚合物[Co(dpa)prz0.5]n的合成、晶体结构及磁性质

A coordination polymer [Co(dpa)prz_0.5]_n(1) with double-helix chains has been constructed hydrothermally using H₂dpa (H₂dpa=diphenic acid), prz (prz=piperazine) and Co(NO₃)₂·6H₂O. The structure and magnetic properties of the complex were investigated. The complex crystallizes in triclinic system and P1 space group. Each Co atom is five-coordinated and takes a distorted tetragonal pyramid geometry. Two carboxylates of the H₂dpa ligands bridge four Co(Ⅱ) ions to form infinite right-handed or left-handed helical -C-O-Co- chains. The two types of helical chains are interconnected to each other through the Co(Ⅱ) centers to produce double-helix chains. The chains form a 2D sheet through the coordination interaction of prz molecules between adjacent chains. The sheets are further interlinked by hydrogen bond interactions to generate 3D coordination frameworks. Magnetic studies for complex 1 show stronger antiferromagnetic coupling between the Co(Ⅱ) ions. CCDC: 709275.     

含轴手性磺酸配体的镉配合物(英)

The crystal structure of [Cd(BDA)(phen)₂(H₂O)](H₂O)₂ (1) (BDA=6,6′-dibromo-2,2′-dimethoxy-1,1′-binaphthylene-4,4′-disulfonate, phen=1,10-phenanthroline)consists of a cadmium center whose coordination environment can be best described as a slightly distorted octahedron defined four nitrogen atoms from two phen ligands and two oxygen atoms differently from BDA ligand and water. There are strong hydrogen-bonding interactions between water and sulfonate group of BDA ligands to construct the 3D network. CCDC: 277921.     

一维链状钴配位聚合物{[Co(4，4′-bipy)(C9H8O3N)2](H2O)4}n的溶剂热合成、晶体结构及热稳定性

One novel coordination polymer {[Co(4,4′-bipy)(C₉H₈O₃N)₂](H₂O)₄}_n with p-acetamidobenzoic acid and 4,4′-bipy has been synthesized. It was characterized as crystallizing in the triclinic space group P1, with: a=1.138 1(2) nm, b=1.165 2(2) nm, c=1.223 3(2) nm, α=88.47(3)°, β=88.00(3)°, γ=65.78(3)°, V=1.478 4(4) nm³, D_c=1.446 g·cm^-3, Z=1, F(000)=670. Final GooF=1.106, R₁=0.041 5, wR₂=0.110 4. The crystal structure shows that the cobalt(Ⅱ) ion is lined with one 4,4′-bipy molecule, forming a one-dimension chain with Z-type structure, which coordinated with two nitrogen atoms of two 4,4′-bipy molecules and four oxygen atoms from two p-acetamidobenzoic acid molecules, giving a distorted octahedral coordination geometry. The result of TG analysis shows that the title complex was stable under 230.0 ℃. CCDC: 741932.     

有机二磺酸锰配合物(英)

The crystal structure of [Mn(BDA)(bpy)₂(H₂O)](H₂O)₂ (1)(BDA=6,6′-dibromo-2,2′-dimethoxy-1,1′-binaphthylene-4,4′-disulfonate, bpy=2,2′-bipyridine) composes of a manganese center which is surrounded by two nitrogen atoms from 2,2′-bipyridine and four oxygen atoms from three water and sulfonate group of BDA that also participate in H-bonding interactions to form 3D network as well as some uncoordinated water. CCDC: 277922.     

对三氟甲基苯甲酸和2，2′-联吡啶双核铽配合物的合成、晶体结构及发光性质

A new dinuclear complex [Tb₂(BA)₆(2,2′-bipy)₂] (BA=4-(trifluoromethyl)benzoic acid, 2,2′-bipy=2,2′-bipyridine) has been synthesized. The complex was characterized by X-ray single-crystal structure analysis. The complex is a dimer with an inversion center. In the complex, two Tb3+ ions are linked by four carboxylate groups of BA ligands in bridging-bidentate coordination mode. Each Tb³⁺ ion is eight-coordinated with two nitrogen atoms from one 2,2′-bipy molecule, four oxygen atoms from four bridging-bidentate BA ligands and two oxygen atoms from one chelating-bidentate BA ligand. Intermolecular hydrogen bonds are formed in the crystal. The complex exhibits strong green fluorescence under ultraviolet light and the fluorescence spectrum consists of four lines peaking at 489, 545, 584 and 620 nm, which are corresponding to the ⁵D₄→⁷F_j (j=6～3) transitions of Tb³⁺ ion, respectively. CCDC: 727763.     

二维配位聚合物[Mn(FA)2(4，4′-bipy)]n的合成、晶体结构及量子化学研究

A novel manganese coordination polymer [Mn(FA)₂(4，4′-bipy)]_n(HFA=2-furancarboxylic acid, 4,4′-bipy=4,4′-bipyridine) has been synthesized by hydrothermal methods. The crystal structure was determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group C2/c with a=1.698 4(3) nm, b=1.168 6(2) nm, c=1.009 5(17) nm, β=109.455(11)°, V=1.889 2(6) nm³, Z=4, D_c=1.523 g·cm^-3, M_r=433.27, F(000)=884, μ=0.740 mm^-1, R₁=0.028 2 and wR₂=0.071 0. In the crystal, the manganese atom is six-coordinated by two nitrogen atoms from 4,4′-bipyridine and four oxygen atoms from furancarboxylic acid molecules, completing an octahedral geometry. The 4,4′-bipyridine molecules are connected to the infinite chain [Mn(FA)₂]_n to form a two-dimensional layer. The quantum chemistry calculation on the title complex has been performed by means of G98W package and taking Lanl2dz basis set. CCDC: 296763.     

一种新的有机-无机混配配位聚合物[Zn(N3)2(bpp)]n的自组装及晶体结构(bpp=1，3-二吡啶丙烷)

A novel coordination polymer [Zn(N₃)₂(bpp)]_n[bpp=1，3-bis(4-pyridyl)-propane] was synthesized at room temperature and structurally characterized by means of X-ray single crystal diffraction. The results show that the polymer exhibits a linear chain structure; the Zn-Zn distance is 12.235?. Each Zn(Ⅱ) ion is coordinated by two nitrogen atoms from bpp ligands and two nitrogen atoms from azido (N₃^-) groups， the coordination geometry of Zn(Ⅱ) ion is a slightly distorted tetrahedron， the angles around Zn(Ⅱ) ions are from 103.27° to 121.37°. In the solid-state structure of the polymer， the linear chains are stacked with parallel mode along a direction. Moreover， between adjacent chains， there are π-π interactions between pyridine rings， which are arranged in face-to-face fashion with interplanar distances of av. 3.821?. CCDC： 189591.     

配位聚合物[Mn(4，4′-bpy)1.5(H2O)3](ClO4)·(4，4′-bpy)(L)·H2O的水热合成和晶体结构

The title compound, [Mn(4,4′-bpy)_1.5(H₂O)₃](ClO₄)·(4,4′-bpy)(L)·H₂O(1), where L=2,4,6-trimethylbenzoic acid, was synthesized and its crystal structure was determined by X-ray diffraction analysis. The crystal is of triclinic, space group P1 with a=2.929 9(6) nm, b=1.036 4(2) nm, c=8.222 0(1) nm, α=105.300(2)°, β=97.495(2)°, γ=91.118(2)°, V=1.884 0(4) nm³, Z=2, M_r=780.10, D_c=1.375 g·cm^-3, μ=0.483 mm^-1, F(000)=812, R=0.055 4, wR=0.135 2. The Mn atoms are octahedrally coordinated by three N atoms of three 4,4′-bipyridine ligands and three O atoms of water. The complex shows a one-dimensional chain structure bridged by water and 4,4′-bipyridine molecules. CCDC: 615707.     

一维链状的2-氧-1(4H)-吡啶氮乙酸钴配位聚合物{[Co(2-OPA)2(4，4′-bipy)(H2O)2]·6H2O}n的合成、结构及性能研究

A coordination polymer of {[Co(2-OPA)₂(4，4′-bipy)(H₂O)₂]·6H₂O}_n (2-OPA^-=2-oxo-1(4H)-pyridineacetate anion) was synthesized and characterized by elemental analysis， IR， TG， fluorescence and X-ray single crystal diffraction. The title complex crystallizes in triclinic space group P1， with a=0.856 66(17) nm， b=0.859 58(17) nm， c=1.142 2(2) nm， α=69.64(3)°， β=68.35(3)°， γ=74.88(3)°， and V=0.724 4(3) nm³， Z=1， R=0.064 4， wR=0.159 8. Each Co atom occupies a special position of inversion center and has an octahedral coordination environment， defined by two carboxyl O atoms from two 2-OPA^- ligands， two N atoms from two 4，4′-bipy ligands and two water molecules. Adjacent Co(Ⅱ) atoms are bridged by 4，4′-bipy ligands， forming a one-dimensional linetype chain structure. The closest Co…Co distance is 1.142 2(2) nm. The results of TG and fluorescent analysis show that the title coordination polymer is stable under 90.2 ℃ and has three emission peaks at 368， 422 and 484 nm. CCDC: 643626.     

{[Co(4，4′-bipy)(H2O)4]·(α-Furacrylic acid)2·(H2O)}n的水热合成、晶体结构及电化学分析

A complex {[Co(4,4′-bipy)(H₂O)₄]·(α-Furacrylic acid)₂·(H₂O)}_n with α-furacrylic acid, 4,4′-bipy and cobaltous chloride hexahydrate has been synthesized by means of hydrothermal way and characterized. Crystal data for this complex: monoclinic, space group P2₁/c, a=1.147 0(2) nm, b=1.099 9(2) nm, c=1.111 1(2) nm, β=97.829(3)°, V=1.388 7(5) nm³, D_c=1.429 g·cm^-3, Z=2, μ(Mo Kα)=0.682 mm^-1, F(000)=622, S=1.025, R₁=0.035 8, wR₂=0.086 1. The crystal structure shows that the cobalt(Ⅱ) ion is coordinated with two nitrogen atoms of two 4,4′-bipy molecules and four oxygen atoms from four water molecules, respectively, giving a distorted octahedral coordination geometry. Adjacent cobalt(Ⅱ) ions are bridged by 4,4′-bipy groups, resulting in a 1D chain structure. The adjacent Co(Ⅱ)-Co(Ⅱ) distance is 1.147 0 nm. The cobalt(Ⅱ) ion isn′ t coordinated with α-Furacrylic acid. The complex molecules form 2D structure through hydrogen bonds. The cyclic voltametric behavior of the complex was also investigated. CCDC: 648243.     

镉(Ⅱ)与对乙酰氨基苯甲酸、4，4′-联吡啶配位聚合物的合成、晶体结构及荧光性质

The complex {[Cd₂(C₉H₈O₃N)₂(CH₃COO)₂(4,4′-bipy)₂]·(4,4′-bipy)·(H₂O)₄}_n with 4-acetamidobenzoic acid and 4,4′-bipyridine has been synthesized with liquid diffusion method and characterized. It crystallizes in the monoclinic space group C2/c. The crystal structure shows that two neighboring cadmium(Ⅱ) ions are linked together by two bridging acetic acid radicals, forming a binuclear structure. Adjacent binnuclear structure is linked together by two bridging 4,4′-bipy molecules and the complex molecule forms an one-dimensional double-chain structure. The luminescent properties of the complex were studied. CCDC: 734878.     

{[Co(4，4′-bipy)(ambdc)(H2O)2](4，4′-bipy)(DMF)}n合成与晶体结构

A novel coordination polymer of {[Co(4,4′-bipy)(ambdc)(H₂O)₂](4,4′-bipy)(DMF)}_n has been synthesized using 5-aminoisophthalic acid (H₂ambdc), 4,4′-bipyridine(4,4′-bipy) and metal salts. The ambdc ligand in title compound has a μ₂-monodentate coordination mode and the structure of the title compound is a two-dimensional network. CCDC: 279054.     

异双桥二维镍(Ⅱ)配位聚合物 ∞2[Ni(μ-4，4′-bpy)2/2(μ-L)4/2](HL=2-indolyl-formic acid)的水热合成和晶体结构

The allo-bisbridge 2D coordination polymer _∞²[Ni(μ-4，4′-bpy)_2/2(μ-L)_4/2](HL=2-indolyl-formic acid) has been obtained by using hydrothermal synthesis, and the results of X-ray single crystal diffraction analysis show that the compound crystallizes in monoclinic system, space group C2/c (No.15) with a=2.300 2(5) nm, b=1.129 1(2) nm, c=0.974 0(2) nm, β=109.85(3)°, V=2.379 2(8) nm³, D_c=1.494 g·cm^-3, Z=4, F(000)=1 104, μ=0.860 mm^-1, R=0.032 2, wR=0.088 8. The crystal structure consists of the [Ni(μ-4,4′-bpy)_2/2(μ-L)_4/2] complex molecules, in which the Ni atom is octahedrally coordinated by two N atoms from two different 4,4′-bpy molecule ligands and four O atoms from four different L- anion ligands. TG analysis indicate that title coordination polymer possesses relatively high thermal stability. CCDC: 252833.     

二维层状铜(Ⅱ)配位聚合物[Cu(PAc)2(μ-3-PyOH)2]n的合成、晶体结构及热稳定性研究

A two-dimensional coordination polymer, [Cu(PAc)₂(μ-3-PyOH)₂]_n(HPAc=phenyl acetic acid, 3-PyOH=3-hydroxypyridine) was synthesized and characterized by the element analysis, IR, TG and X-ray diffraction single crystal structure determination. The title complex crystallizes in the monoclinic system with space group P2₁/c, a=1.228 7(3) nm, b=0.967 05(19) nm, c=1.076 4(2) nm, β=109.93(3)° and V=1.202 4(5) nm³, Z=2, M_r=524.01, F(000)=542, μ=0.953 mm^-1, R=0.030 9, wR=0.080 7. Each copper(Ⅱ) ion displays an elongated octahedron with two nitrogen atoms from two different 3-PyOH ligands and two oxygen atoms from two different terminal phenyl acetate groups occupying the basal positions and two oxygen atoms of two different 3-PyOH ligands from the neighbouring molecules occupying the axial positions. Each four identical mononuclear Cu(Ⅱ) unit in the two-dimensional layer is joined by four 3-PyOH ligands, related by inversion centers with a Cu…Cu separation of 0.723 5(10) nm across the 3-PyOH-N,O bridge in bc plane. CCDC: 664483.     

一维链状配位聚合物[Cd{5-(NO2)sal}2(2,2′-bipy)]n的合成与晶体结构

A coordination polymer of [Cd{5-(NO₂)sal}₂(2,2′-bipy)]_n(5-(NO₂)sal=5-nitrosalicylate, 2,2′-bipy=2,2′-bipyridine) was synthesized by hydrothermal reaction and characterized by elemental analysis, IR and X-ray diffraction single crystal structure analysis. The title complex crystallizes in monoclinic with space group C2/c, a=2.730 8(16) nm, b=1.272 3(5) nm, c=0.674 5(3) nm, β=96.73(2)°, V=2.327(2) nm³, Z=4, R=0.022 2, wR=0.057. The 5-nitrosalicylate anions doubly bridge the Cd(Ⅱ) atoms to form one-dimensional polymeric chain with the repeated eight-membered ring units (Cd-O-C-O)₂. The crystal structure is stabilized by intra- and interchain hydrogen bonds interactions. CCDC: 694568.     

二重穿插锰配合物Mn2(ADB)2(DMSO)4DMSO的溶剂热合成和结构研究

A novel Mn coordination polymers, Mn₂(ADB)₂(DMSO)₄·DMSO (H₂ADB=4,4′-azodibenzoic acid), has been prepared by solvothermal reaction and characterized by element analysis, IR spectra and single-crystal X-ray diffraction. The crystallographic data shows that the title complex crystallizes in monoclinic space group C2/c. Each Mn(Ⅱ) is six-coordinated to four O atoms from three ADB^2- ligands, two oxygen atoms from two DMSO molecule and forms distorted octahedral coordination geometry. The Mn(Ⅱ) dimers by the carboxyl groups of the ADB^2- ligands were interlinked together by the different carboxylate coordination modes of ADB^2- ligands, to yield scaffolds with 2D network with 4.8² topological structures. CCDC: 745678.     

环己烷甲酸根桥联的二维锰配合物的合成与表征

Complex [Mn₂(C₆H₁₁CO₂)₃(4,4′-bipy)₂(H₂O)₂]ClO₄ (C₆H₁₁CO₂H=cyclohexanecarboxylic acid) was synthesized by reaction of Mn(ClO₄)₂·6H₂O, C₆H₁₁CO₂Na and 4,4′-bipy in methanol. The title complex crystallizes in triclinic space group P1, with a=1.008 8(2) nm, b=1.086 3(1) nm, c=1.164 9(3) nm, α=63.016(3)°, β=81.998(4)°, γ=88.604(1)°, V=1.125 4(4) nm³, Z=1. There are two types of Mn atoms in the structure with each in octahedral geometry. Mn1 and Mn2 are bridged by cyclohexanecarboxylate ligands into a chain and the chains are further linked together by 4,4′-bipy into a 2D plane. CCDC: 692247.     

一维链状超分子化合物[Zn(dafo)2(H2O)2](NO3)2(dafo=4，5-二氮芴-9-酮)的合成、表征和晶体结构

A novel one-dimensional chain complex [Zn(dafo)₂(H₂O)₂](NO₃)₂ was synthesized. It has been characterized by IR, UV, TGA, Elemental analysis and X-ray diffraction analysis. The crystal belongs to triclinic system, P1 space group. The Crystallographic data are: a= 0.702 7(14) nm, b= 0.828 95(17) nm, c= 10.225(2) nm, α = 95.02(3)°, β = 91.45(3)°, γ = 99.85(3)°. The crystal structure data indicate that the Zn(Ⅱ) ion was coordinated with the four nitrogen atoms of two dafo and two oxygen atoms of two coordination water molecules, respectively. The complex has a one-dimensional chain structure, which is formed by hydrogen bonds.     

4,4′-喹啉酸锌(Ⅱ)配位聚合物

Hydrothermal treatment of racemic atropisomeric ligand diethyl (R,S)-7,7′-dimethyl-4,4′-biquinoline-3,3′-dicarboxylate (DDBD) in the presence of pyridine over 4 days at 140 ℃ with Zn(OAc)₂ offers zinc coordination polymer [{Zn(DBD)(pyridine)₂(H₂O)}_n{Zn(DBD)(H₂O)_1/2}]_n (1), which shows weak fluorescence at about 490 nm at solid state at room temperature. CCDC: 631007.