一维链状镉(Ⅱ)配位聚合物[Cd(μ-DPIA)2(H2O)]n的合成与结构研究

A novel one-dimensional coordination polymer, [Cd( μ-DPIA)₂(H₂O)]_n (HDPIA=4,5-Diphenylimidazole-1-acetic acid), was synthesized and characterized by the element analysis, IR and single crystal X-ray diffraction. It crystallizes in the orthogonal space group Pca2₂ with unit cell parameters: a=1.509 6(3) nm, b=0.611 1(1) nm, c=3.216 4(6) nm, and V=2.967 1(10) nm³, Z=4, R=0.032 7, wR=0.086 7. The Cd atom is seven-coordinated by four O atoms and two N atoms from two chelating DPIA^- ligands and one water molecule, and displays a distorted pentagonal bipyramid coordination geometry. Each DPIA^- ligand bridges two adjacent Cd atoms, forming a infinite chain along the a axis direction. The Cd…Cd separation within the polymer is 0.765 0(3) nm. A layer structure which parallels to the ab plane is further constructed by hydrogen bonding interactions. CCDC: 254247.     

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.     

一维双链4-氧-1(4H)-吡啶氮乙酸桥联铜配位聚合物[Cu(4-OPA)2]n的合成、结构及性能研究

A novel coordination polymer of [Cu(4-OPA)₂]_n (4-OPA^-=4-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 with space group P1, a=0.713 17(14) nm, b=0.739 81(15) nm, c=0.753 02(15) nm, α=91.46(3)°, β=109.14(3)°, γ=111.31(3)°. V=0.344 92(17) nm³, Z=1, R=0.028 6, wR=0.080 3. The Cu atom occupies an inversion site in an octahedral environment, defined by two carbonyl O atoms and four carboxyl O atoms from different 4-OPA^- ligands. Adjacent Cu(Ⅱ) atoms are bridged by the 4-OPA^- ligands, forming a one-dimensional double chain structure. The closest Cu…Cu distance is 0.850 6(3) nm. The results of TG and fluorescent analysis show that the title coordination polymer is stable under 262.8 ℃ and has two emission peaks at 422 and 484 nm. CCDC: 287038.     

一维链状4-羧基苯氧乙酸桥联钴配位聚合物[Co(p-CPOA)(2，2′-bipy)(H2O)]n的合成与晶体结构

A novel coordination polymer of [Co(p-CPOA)(2，2′-bipy)(H₂O)]_n (p-CPOA^2-=4-carboxylphenoxyacetate dianion, 2,2′-bipy=2,2′-bipyridine) was synthesized and characterized by elemental analysis, IR and X-ray single crystal diffraction. The title complex crystallizes in monoclinic space group C2/c, with a=1.424 4(3) nm, b=1.316 6(3) nm, c=1.947 7(4) nm, β=104.56(3)°. V=3.535 3(14) nm³, Z=8, R=0.028 5, wR=0.089 1. The cobalt(Ⅱ) ion displays a distorted octahedral coordination geometry, defined by three carboxyl oxygen atoms from different p-CPOA^2- groups, two nitrogen atoms from 2,2′-bipyridine ligand and one water molecule. The cobalt atoms are bridged by p-CPOA^2- groups, forming a one-dimensional chain structure along a axis. The adjacent Co…Co atoms distance is 0.996 8 nm. A layer supramolecular network is contrsucted by the hydrogen bonds and π-π stacking interactions. CCDC: 220039.     

一维链状2-氧-1(4H)-吡啶乙酸桥联钙配位聚合物[Ca(2-OPA)2(H2O)2]n的合成、晶体结构及热稳定性研究

A novel coordination polymer of [Ca(2-OPA)₂(H₂O)₂]_n (2-OPA-=2-oxo-1(4H)-pyridineacetate anion) was synthesized and characterized by elemental analysis, IR, TG and single crystal X-ray diffraction. The title complex crystallizes in orthorhombic with space group Pna2₁, a=0.799 96(16) nm, b=0.823 77(16) nm, c=2.415 3(5) nm, V=1.591 6(6) nm³, Z=4, R=0.030 3, wR=0.070 0. The Ca atom is eight-coordinated by six O atoms of four 2-OPA^- ligands and two water molecules, and displays a dodecahedron coordination geometry. Each 2-OPA^- ligand bridges two adjacent Ca atoms, forming a infinite chain along the a direction. The Ca…Ca distance is 0.4102 2(8)nm. A two-dimensional supramolecular framework is further constructed by the hydrogen bonds and the weak π-π interactions. The results of TG analysis show the chain structure of the title complex was stable under 297.5 ℃. CCDC: 251669.     

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.     

一维链状的3-羧基苯氧乙酸铜配位聚合物[Cu(3-cpoa)(phen)(H2O)]n的合成与晶体结构

A novel coordination polymer [Cu(3-cpoa)(phen)(H₂O)]_n(3-cpoa^2-=3-carboxylphenoxyacetate, phen=1,10-phenanthroline) was synthesized and characterized by elemental analysis, IR spectra and single crystal X-ray diffraction. Crystallographic facts are as follows: monoclinic crystal system, space group P2₁/n， a=0.688 96(14) nm， b=1.652 3(3) nm， c=1.651 1(3) nm， β=95.20(3)°, V=1.871 9(6) nm³, Z=4, D_c=1.618 g·cm^-3， F(000)=932， μ=1.211 mm^-1，R=0.048 2 and wR=0.062 2. The copper atom exhibits a distorted square pyramidal coordination geometry, involving two oxygen atoms of different 3-cpoa^2- ligands, two nitrogen atoms of 1,10-phen ligand and one coordinated water molecule. The copper atoms are bridged by 3-cpoa^2- ligand, forming a one-dimensional chain along c axis. The distance of adjacent Cu…Cu is 0.916 6(4) nm. A three-dimensional network structure is constructed by the intermolecular hydrogen bond and π-stacking interactions. CCDC: 219724.     

4-羧基苯氧乙酸锰配位聚合物[Mn(p-CPOA)(H2O)3]n的合成与晶体结构

The coordination polymer of [Mn(p-CPOA)(H₂O)₃]_n (p-CPOA=4-carboxylphenoxyacetate) was synthesized and characterized by elemental analysis, IR， X-ray single crystal diffraction. The title complex crystallizes in mono-clinic with space group P2₁/c, a=0.699 8(1) nm, b=1.6235(3) nm, c=1.014 3(2) nm, β=99.55(3)°. V=1.136 5(4) nm³, Z=4, D_c=1.772 g·cm^-3, μ=1.193mm^-1, F(000)=620, R=0.026 8, wR=0.074 5. The manganese atom is seven-coordinate involving four oxygen atoms of different p-CPOA^2- ligands and three coordinated water, forming a distorted pentagonal bipyramindal environment. Two manganese atoms are bridged by p-CPOA^2- ligand, forming a one-dimensional zigzag chain structure along p axis. The adjacent distance of Mn…Mn atoms is 1.021 0 nm. The three-dimensional hydrogen bonding network was formed by the intermolecular hydrogen bonds. CCDC: 219358.     

一维链状配位聚合物[Cd(N-MeIM)2(SCN)2]n的结构表征和电化学性能研究(英)

A novel cadmium(Ⅱ) isothiocyanate complex [Cd(N-MeIM)₂(SCN)₂]_n(N-MeIM=N-methylimidazole) has been prepared and characterized by spectroscopic analysis and crystallographic method. The title compound crystallize in the Triclinic system, space group P1, with lattice parameters a=0.589 50(12) nm, b=0.785 70(16) nm, c=0.882 00(18) nm, α=110.98(3)°, β=106.49(3)°, γ=95.08(3)°, and Z=1. The title compound exhibits an infinite chain structure in which each pair of Cd atoms is bridged by two η-1,3-SCN^- groups. The unique Cd atom lies on an inversion centre and the coordination sphere is completed by two N-MeIM N atoms to form a CdS₂N₄ octahedron. The polymeric chains are further extended into three-dimensional network via π…π stackings interactions between the imidazole rings. The cyclic voltammetry behaviors of the compound on glass carbon electrode showed a typical irreversible process. CCDC: 265283.     

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.     

三维网状的4-羧基苯氧乙酸锶(Ⅱ)配位聚合物[Sr2(4-CPOA)2(H2O)5]n的合成、结构与热稳定性研究

A novel coordination polymer of [Sr₂(4-CPOA)₂(H₂O)₅]_n (where 4-CPOA^2- is 4-carboxylphenoxyacetate) has been synthesized and characterized by elemental analysis, IR, TG and single crystal X-ray diffraction. The title complex belongs to monoclinic system with space group C2/c, a=2.563 9(5) nm, b=1.162 7(2) nm, c=0.742 96(15) nm, β=99.64(3)°. V=2.183 5(7) nm³, Z=4, M_r=653.60, D_c=1.988 g·cm^-3, R=0.027 8, wR=0.058 1. The strontium atom has a bicapped triangular prismatic coordination geometry, involving four oxoacetate oxygen atoms, one ether oxygen atom from different 4-CPOA^2- ligands and three water molecules. The strontium(Ⅱ) ions are linked by 4-CPOA^2- ligands and water molecules to form a 3D network structure. CCDC: 223313.     

二维层状铜配位聚合物[Cu2(3-PyOH)2(EDTA)]n的合成与结构研究

A 2D copper coordination polymer of [Cu₂(3-PyOH)₂(EDTA)]_n (EDTA^4-=ethylenediaminetetraacetate quadrivalent anion C₁₀H₁₂N₂O₈, 3-PyOH=3-hydroxypyridine) was synthesized and characterized by the element analysis, IR and single crystal X-ray diffraction. The title complex crystallizes in monoclinic system with space group P2₁/c, a=1.327 5(3) nm, b=0.930 39(19) nm, c=0.948 44(19) nm, β=108.21(3)°, and V=1.112 8(4) nm³, Z=2, R=0.025 2, wR=0.066 1. Each copper(Ⅱ) atom is five-coordinated by three O atoms and one N atom from two different EDTA^4- groups and one N atom from 3-PyOH ligand, forming a distorted square-pyramidal coordination geometry. Two adjacent copper(Ⅱ) atoms are bridged by the bis-tetradentate EDTA^4- groups, constructing a two-dimensional layer structure along bc plane. The adjacent Cu…Cu distances are 0.502 5(3) and 0.611 3(3) nm. CCDC: 618806.     

一维链状铜配位聚合物[Cu(bpb)(PPh3)2]n·nClO4·nCH2Cl2·nH2O的合成、晶体结构与荧光性质研究

A coordination polymer of [Cu(bpb)(PPh₃)₂]_n·nClO₄·nCH₂Cl₂·nH₂O(bpb=1,4-bis(pyridine-3-aminome-thyl)benzene) has been synthesized and characterized by elemental analysis, IR, TG, PL and X-ray single crystal diffraction. The title complex crystallized in triclinic with space group P1, a=1.065 8(4) nm, b=1.542 4(6) nm, c=1.690 8(6) nm, α=80.11(10)°, β=76.00(10)°, γ=82.72(10)°, and V=2.646 5(17) nm³, Z=2, R=0.068 4. In the title complex, each Cu(Ⅰ) ion displays a distorted tetrahedron coordination configuration, defined by two N atoms from two different bpb groups, and two P atoms from PPh₃. Two adjacent Cu(Ⅰ) tetrahedron units are linked into a one-dimensional chain by the bpb ligands, which are further connected by hydrogen bonds to form a two-dimensional layer structure. Furthermore, the solid-state fluorescent property of the title complex was studied at room temperature. CCDC: 743417.     

一维链状柔性羧酸镉配位聚合物[Cd(p-BDOA)·2H2O]n的合成、结构与性质研究(英)

A novel 1-D Cd(Ⅱ) coordination polymer, [Cd(p-BDOA)·2H₂O]_n(I) ( p-BDOA^2-=benzene-1,4-dioxyacetate dianion) has been synthesized and characterized by elemental analysis, IR, PL, TG and X-ray single crystal diffraction. The Crystal crystallizes in monoclinic system, the space group is C2/c, with the crystal cell parameters a=1.175 1(1) nm, b=0.551 0(1) nm, c=1.827 7(2) nm, β=96.14(2)°, and V=1.176 6(3) nm^3,, M_r=372.60, R=0.045 9, wR=0.127 9. The Cd(Ⅱ) ion has a trigonal prism coordination configuration that defined by four carboxyl O atoms from two different p-BDOA^2- ligands and two water molecules. Adjacent Cd(Ⅱ) ions are linked by carboxylate groups with the bidentate coordination mode, giving rise to a chain structure with the adjacent Cd…Cd distance of 1.526 3(5) nm. Furthermore, such chains are linked by hydrogen bonds to form supramolecular network. The results of PL and TG show that the complex exhibits intense fluorescent emissions and its chain skeleton is thermally stable up to 419 K. CCDC: 220443.     

SCN-桥联的一维链配位聚合物[Cd(dafo)(SCN)2]n的合成及晶体结构

A new one-dimensional compound [Cd(dafo)(SCN)₂]_n(dafo=4,5-diazafluoren-9-one) has been synthesized and characterized by single crystal X-ray diffraction. It crystallizes in the orthorhombic system; space group Pbca with a=1.708 6(5), b=1.303 6(4), c=2.592 6(8) nm, V=5.775(3) nm³, and Z=16. The crystal structure revealed that the structure of [Cd(dafo)(SCN)₂]_n features μ-1,3-thiocyante bridges and 1D chains. It consists of octahedrally coordinated Cd atoms. Both Cd(1) and Cd(2) are surrounded by two nitrogen atoms from dafo, two S atoms and two N atoms from two di-μ-1,3 thiocyanato bridges. CCDC: 251185.     

一维链状铜配位聚合物[Cu(m-BDOA)(bipy)·H2O]n的合成与晶体结构

A novel coordination polymer, [Cu(m-BDOA)(bipy)·H₂O]_n (m-BDOA^2-=benzene-1,3-dioxyacetate), was synthesized and characterized by elemental analysis, IR spectra, X-ray single crystal structure analysis. Crystallographic data are as follows: orthorhombic, space group Pna2₁, a=1.606 9(3) nm, b=1.685 9(3) nm, c=0.699 7(1) nm, V=1.8955(7) nm³, Z=4, D_c=1.619 g·cm^-3, μ=1.200 mm^-1, F(000)=948，R=0.038 1, wR=0.038 6. The copper atom is five-coordinated involving two oxygen atoms of different m-BDOA^2- ligand, two nitrogen atoms of 2,2′-bipy ligand and one coordinated water, there is a distorted square pyramidal environment. Two copper atoms are bridged by m-BDOA^2- ligand, forming a one-dimensional chain along a axis. The adjacent distance of Cu…Cu atoms is 0.877 3nm. The crystal network was formed by the intermolecular hydrogen bond and π-packing interactions.     

二维网状铜(Ⅱ)配位聚合物{Cu(μ2-C10H8N2O3)( μ2-C6H12N4)1/2}n的合成和晶体结构

The novel copper(Ⅱ) coordination polymer with 2-oxo-propionic acid benzoyl hydrazone and hexamethylenetetramine ligands, {Cu(μ₂-C₁₀H₈N₂O₃)( μ₂-C₆H₁₂N₄)_1/2}_n (C₁₀H₈N₂O₃^2- is the dinegative ion of 2-oxo-propionicacid benzoyl hydrazone), has been synthesized and characterized by elemental analysis and IR spectroscopy. The crystal structure was determined by single crystal X-ray diffraction analysis. The results show that the crystal of the title coordination polymer belongs to monoclinic space group C2/c, the cell parameters are as follows: a=1.787 5(2) nm, b=0.730 93(9) nm, c=2.038 2(2) nm, β=92.890(2)°, and V=2.659 6(5) nm³, Z=8, D_c=1.687 Mg·m^-3, μ(Mo Kα)=1.659 mm^-1, F(000)=1 384, R=0.031 1, wR=0.079 0 for 2 454 observed reflections (I>2σ(I)) out of 2887 unique reflections. In this copper(Ⅱ) coordination polymer, each copper(Ⅱ) ion is five-coordinated with a geometry of distorted square-pyramid. Two oxygen atoms of the carboxyl of each C₁₀H₈N₂O₃^2- acts as a bridge to bond two neighboring copper(Ⅱ) ions, leading to an infinite one-dimensional chainlike coordination polymer. Each chain is linked by coordinated hexamethylenetetramines with its neighbors to form an infinite two-dimensional network structure. CCDC: 255347.     

一个新的双核锌配合物Zn2(dhaash)2(py)4的合成及晶体结构

The crystal of binuclear zinc complex Zn₂(dhaash)₂(py)₄ was obtained in DMF and pyridine, where H₂dhaash is 2,4-dihydroxy-5-acetylacetophenone-N-salicylhydrazone. It has been characterized by IR, UV, element analysis and X-ray single crystal diffraction. The crystallographic data were as follows: monoclinic system, space group P2₁/c, a=1.108 98(11) nm, b=1.640 84(16) nm, c=1.445 14(14) nm, β=108.617(2)°, Z=2, V=2.492 1(4) nm³, D_c=1.466 g·cm^-3, M_r=1 099.74, μ=1.031 mm^-1, F(000)=1 136 and the final R=0.044 8 and wR=0.105 8 for 4 143 observed reflections with I≥2σ(I), respectively. The X-ray crystal structure analysis revealed that, in the centrosymmetric binuclear complex molecule, two zinc(Ⅱ) centers are linked by two oxygen atoms (O(3) and O(3A)), respectively. Zn(1)…Zn(1A) distance is 0.314 81(6) nm, O(3)…O(3A) distance is 0.270 4(2) nm. Every zinc(Ⅱ) ion has an elongated octahedral coordination. For example, the two pyridine nitrogen atoms, one oxygen atom and one nitrogen atom from salicylhydrazone, one oxygen atom from 2,4-dihydroxy-5-acetylacetophenone in one dhaash^2- ligand and one oxygen atom from 2,4-dihydroxy-5-acetylacetophenone in another dhaash^2- ligand coordinated to zinc(Ⅱ) ion, respectively. Two zinc(Ⅱ) ions and all the 72 non-hydrogen atoms in the two dhaash^2- ligands are in the same plane. CCDC: 261929.     

配合物[Cd(NIT4Py)2][Au(CN)2]2的合成与晶体结构

A Cd(II)-nitronyl nitroxide radical complex with dicyanoaurate(I) bridges [Cd(NIT4Py)₂][Au(CN)₂]₂, was synthesized and characterized by elemental analyses, IR spectrum and X-ray diffraction single-crystal structure analysis. Crystal data for the complex: triclinic, space group P1, a=0.720 9(11) nm, b=0.960 3(15) nm, c=1.284(2) nm, α=75.38(2)°, β=85.46(2)°, γ=68.38(2)°, V=0.800(2) nm³, Z=1, and R₁ [I>2σ(I)]=0.055 8. The title complex consists of infinite one-dimensional chains of [Cd(NIT4Py)₂][Au(CN)₂]₂, in which [Cd(NIT4Py)₂] moieties are conne-cted by [Au(CN)₂]^- μ₂-bridging ligands. Each cadmium(II) ion is six-coordinated in a distorted and centrosymmetric octahedral environment. CCDC: 258357.     

一维链状吡啶酮钙配位聚合物[Ca(μ-p-HPO)2(NO3)2]n的合成、晶体结构及热稳定性研究

A novel one-dimensional coordination polymer, [Ca(μ-p-HPO)₂(NO₃)₂]_n, (p-HPO=p-pyridone) was synthesized and characterized by the element analysis, IR, TG and X-ray single crystal diffraction. It crystallizes in the monoclinic space group C2/c with unit cell parameters: a=1.992 1(4) nm, b=0.374 96(7) nm, c=1.930 3(4) nm, β=109.21(3)°. V=1.361 6(5) nm³, Z=4, R=0.034 9, wR=0.084 4. The Ca atom is eight-coordinated by four O atoms from different p-pyridone ligands and four O atoms from two chelating nitrate anions, and displays a distorted square pyramidal coordination geometry. Each p-pyridone ligand bridges two adjacent Ca atoms, forming a infinite chain along the b direction. The Ca…Ca distance is 0.374 96(7) nm. A layer structure is further constructed by intermolecular hydrogen bonds and π-π interactions. The result of TG analysis shows that the title complex is stable under 185 ℃. CCDC: 241576.