Synthesis, Crystal Structure and Luminescence Property of a Cd(Ⅱ) Complex Assembled by 4-Carboxymethoxy Phenylacetic Acid

A new structure with the molecular formula [CdL]n was formed by CdSO4 with 4-carboxymethoxy phenylacetic acid (H2L) through the hydrothermal method. The complex was characterized by elemental analysis and infrared spectroscopy. The structure of the complex was determined by single-crystal X-ray diffraction, which is of monoclinic system, space group P21/c with a = 10.3887(2), b = 7.10710(10), c = 14.7212(2) , β = 120.6940(10)°, V = 934.65(3) 3, Dc = 2.278 g·cm-3, Z = 4, F(000) = 624, S = 1.022, the final R = 0.0187 and wR = 0.0487 for 2000 observer reflections (Ⅰ > 2σ(Ⅰ)). The center metal ion Cd(Ⅱ) in the complex is six-coordinated in a distorted octahedral geometry, and is connected with L ligands to form a 3D fishing net structure, which is a novel (3,6) network topology. The luminescence of the complex has been investigated, and the result reveals that it displays luminescent property in the voilet region.     

Synthesis,Crystal Structure and Theoretical Calculations of a Zinc(Ⅱ) Coordination Polymer Assembled by Pyrazine-2,3-dicarboxylic Acid and Bis(imidazol) Ligands

A new metal-organic coordination polymer [Zn(pzdc)(mbix)]_n·nH_2O(H_2pzdc = pyrazine-2,3- dicarboxylic acid, mbix = 1,3-bis(imidazol-1-ylmethyl)-benzene) 1 has been hydrothermally synthesized and structurally characterized by elemental analysis, IR, TG, fluorescence spectrum and single-crystal X-ray diffraction. Yellow crystals crystallize in monoclinic system, space group P2_1/n with a = 8.5519(6), b = 14.8764(10), c = 16.4108(11) ?, β = 103.4520(10)o, V = 2030.5(2) ?~3, C_(20)H_(18)N_6O_5Zn, M_r = 487.77, D_c = 1.596 g/cm~3, F(000) = 1000, Z = 4, μ(MoK α) = 1.257 mm~(-1), the final R = 0.0260 and w R = 0.0706 for 3445 observed reflections(I 2σ(I)). The structure of 1 exhibits a one-dimensional chain-like structure. In addition, natural bond orbital(NBO) analysis was performed by the PBE0/LANL2DZ method in Gaussian 03 Program. The calculation results show obvious covalent interaction between the coordinated atoms and Zn(Ⅱ) ion.     

Hydrothermal Synthesis, Crystal Structure and Photoluminescent Property of a Zinc(Ⅱ)Complex with 2,2'-Diphenic Acid and 2,2'-Bipyridine Ligands

A new dinuclear complex[Zn(dpa)(bipy)(H2O)]2(dpa=2,2'-diphenic acid,bipy=2,2'-bipyridine)1 has been hydrothermally synthesized and structurally characterized by elemental analysis,IR,fluorescence spectrum and single-crystal X-ray diffraction.The complex crystallizes in monoclinic,space group P21/c with a=10.960(2),b=9.4841(18),c=20.599(4)(A),β=104.452(3)°,V=2073.4(7)(A)3,C48H36N4O10Zn2,Mr=959.55,Dc=1.537 g/cm3,μ(MoKa)=1.225 mm-1,F(000)=984,Z=2,the final R=0.0364 and wR=0.0843 for 2788 observed reflections(I>20(I)).In the crystal structure,the zinc atom is five-coordinated with two carboxylate oxygen atoms from different dpas,one coordinated water molecule and two nitrogen atoms from bipy ligands,showing a slightly distorted triangular bipyramidal geometry.Furthermore,it exhibits a zero-dimensional network structure with a sixteen-membered ring and shows yellow photoluminescent property at room temperature.     

Synthesis,Crystal Structure and Theoretical Calculations of a Manganese(Ⅱ) Coordination Polymer Assembled by 2,5-Thiophenedicarboxylic Acid and 3-(2-Pyridyl)pyrazole Ligands

A new Mn(Ⅱ) complex, [Mn_(0.5)(tdc)_(0.5)(L)]_(2n)(1, H2 tdc = 2,5-thiophenedicarboxylic acid, L = 3-(2-pyridyl)pyrazole), has been successfully synthesized under hydrothermal conditions. Its structure has been determined by single-crystal X-ray diffraction analysis, elemental analyses, IR, TG and UV spectrum. Single-crystal X-ray diffraction analysis reveals that complex 1 belongs to the orthorhombic system, space group Pnna with a = 11.5184(6), b = 16.8399(8), c = 11.7249(5) ?, V = 2274.26(19) ?3, Z = 4, D3c = 1.505 g/cm, μ = 0.715 mm-1, Mr = 515.41, F(000) = 1052, the final R = 0.0336 and w R = 0.0802 with I 2σ(I). It exhibits a one-dimensional zigzag-chain structure, which was stabilized through intermolecular C–H···O and intramolecular N–H···O hydrogen bonding interactions. Moreover, we analyzed Natural Bond Orbital(NBO) by using the PBE0/LANL2 DZ method built in Gaussian 09 Program. The calculation results showed obvious covalent interaction between the coordinated atoms and Mn(Ⅱ) ion.     

Synthesis,Crystal Structure and Theoretical Calculations of a Nickel(Ⅱ) Coordination Polymer Assembled by 4,4'-Oxydibenzoic Acid and 1,3-Bis(imidazol-1-ylmethyl)-benzene Ligands

A new metal-organic coordination polymer [Ni(oba)(mbix)(H2O)]n·n H2O(H2oba = 4,4‘-oxydibenzoic acid,mbix = 1,3-bis(imidazol-1-ylmethyl)-benzene) 1 has been hydrothermally synthesized and structurally characterized by elemental analysis,IR,TG,UV and single-crystal X-ray diffraction.Green crystals crystallize in the triclinic system,space group P1 with a = 10.1915(18),b = 11.415(2),c = 12.314(2)?,α = 74.263(3),β = 84.545(2),γ = 74.369(3)o,V = 1327.6(4) ?,C28H26N4 Ni O7,Mr = 589.24,Dc = 1.474 g/cm3,F(000) = 612,Z = 2,μ(Mo Kα) = 0.786 mm-1,the final R = 0.0332 and w R = 0.0869 for 4622 observed reflections(I 2σ(I)).The structure of 1 exhibits a one-dimensional chain-like structure.In addition,natural bond orbital(NBO) analysis was performed by the PBE0/LANL2 DZ method in Gaussian 03 Program.The calculation results show obvious covalent interaction between the coordinated atoms and Ni(Ⅱ) ion.     

Synthesis,Crystal Structure and Photoluminescent Property of a New Ca(Ⅱ) Compound Constructed from 5-Oxyacetateisophthalic Acid

A new coordination polymer, namely [Ca(HOABDC)]n(1, H3 OABDC = 5-oxyacetateisophthalic acid), has been synthesized through hydrothermal reactions of Ca(NO3)2 and H3 OABDC. The title compound crystallizes in monoclinic, space group P21/c with a = 4.3043(2), b = 21.4959(11), c = 10.7450(6) A, β = 91.411(5)o, V = 993.88(9)A3, C10H6O7 Ca, Mr = 278.23, Z = 4, Dc = 1.859 g/cm3, F(000) = 560, μ = 0.659 mm-1, the final R = 0.0328 and wR = 0.0670 for 1469 observed reflections(I 2A(I)). Single-crystal X-ray structural analysis reveals that compound 1 features 1D Ca(Ⅱ)-carboxylate chain-shaped subunits, which are further connected together via HOABDC2- ligands into a 3D(6,6)-connected nia-type hybrid framework. Moreover, the luminescent property and thermal stability of 1 were also investigated.     

Synthesis,Crystal Structure and Theoretical Calculations of a New Co(Ⅱ) Coordination Polymer Based on 5-Nitroisophthalic Acid and Bis(imidazol) Ligands

A new complex[Co(NIPH)(mbix)]_n(1,H_2NIPH = 5-nitroisophthalic acid,mbix =l,3-bis(imidazol-l-ylmethyl)benzene) has been hydrothermally synthesized and structurally characterized by elemental analysis,IR spectrum,UV spectrum,TG and single-crystal X-ray diffraction.Pink crystals crystallize in the triclinic system,space group P1 with a = 8.3797(8),b= 10.2522(10),c= 13.4244(13) A,α=94.820(2),β=108.105(2),γ=104.816(2)°,V=1042.84(17) A~3,C_(22)H_(17)CoN_5O_6,M_r = 506.34,D_c = 1.613 g/cm~3,F(000) = 518,Z = 2,μ(MoKα) =0.876 mm~(-1),the final R = 0.0505 and wR = 0.1254 for 3267 observed reflections(I2σ(I)).The structure of 1 exhibits a two-dimensional network structure and is extended into a three-dimensional supramolecule through hydrogen bonds and n-n interactions.In addition,Natural Bond Orbital(NBO) analysis was performed by using the PBE0/LANL2 DZ method built in Gaussian 09 Program.The calculation results showed obvious covalent interactions between the coordinated atoms and Co(Ⅱ) ion.     

Synthesis,Crystal Structure and DNA-Binding Property of a Mn(Ⅱ) Complex Based on 5-(Tri-fluoromethyl)pyridine-2-carboxylic Acid

A new complex Mn(Htpc)_2(H_2O)_2(1, Htpc = 5-(trifluoromethyl)pyridine-2-carboxylic acid) has been synthesized and characterized by elemental analysis, IR, TG and single-crystal X-ray diffraction. 1 belongs to triclinic system, space group P■ with a = 5.0885(10), b = 6.5574(13), c = 14.016(3) ?, β = 90.67(3)o, V = 436.34(17) ?~3, Z = 1, D_c = 1.793 g·cm~(-3), μ = 0.855 mm~(-1), Mr = 471.18, F(000) = 235, the final R = 0.0454 and wR = 0.1134 for 1998 observed reflections with I 2σ(I). The Mn(Ⅱ) ion is coordinated by two N and two O atoms from two Htpc as well as two O atoms from two coordinated water molecules, forming a 0D motif with distorted octahedral coordinate geometry. The adjacent 0D units are linked into 1D chains through hydrogen bond O(1W)–H(1 WB)···O(2), and via the O(1 W)–H(1 WA)···O(1) hydrogen bond the neighboring 1D chains are connected into a 2D supramolecular layer. Moreover, the interactions between the ligand and its complex with CT-DNA were studied by EtBr fluorescence probe, which suggested that these compounds bind to CT-DNA through an intercalation mode. The binding constants were 0.41 and 0.64 for Htpc and complex 1, respectively. It indicates that the interaction between complex 1 and CT-DNA is stronger than Htpc.     

Synthesis, Crystal Structure and Luminescent Properties of a Novel Zinc(Ⅱ) Complex of N-Acetyl-L-glutamic Acid and Imidazole Ligands

A novel complex (Zn(Im)2(A-glu)·0.5H2O (Im = imidazole, A-glu = N-acetyl- L-glutamic acid) has been synthesized from the reaction of A-glu with Zn(CH3COO)2(2H2O in the presence of Im at 65 ℃, and structurally characterized by single-crystal X-ray diffraction. The complex crystallizes in tetragonal, space group P43212 with a = b = 8.9078(6), c = 43.458(6) (A), C26H36N10O11Zn2, Mr = 795.39, V = 3448.3(6) (A)3, Dc = 1.532 g/cm3, Z = 4, μ(MoK() = 1.461 mm(1, F(000) = 1640, the final R = 0.0453 and wR = 0.0992. X-ray analysis reveals that the crystal structure is constructed by mixed ligands. A-glu adopts the bis-monodentate coordination mode linking two adjacent metal ions to form a one-dimensional chain. Zinc(Ⅱ) ions are four-coordinated with a distorted tetrahedral geometry. Luminescent properties of the complex have been inves- tigated.     

Synthesis and Crystal Structure of a New Zinc(Ⅱ) Coordination Polymer Assembled by 4-Nitrophthalic Acid and Bis(imidazol) Ligands

A new complex [Zn(4-nph)(bib)]_(2n)·nH_2O(1) has been obtained by the reaction of metal(Zn(Ⅱ)),1,4-bis(imidazol-1-yl)-butane(bib) with 4-nitrophthalic acid(4-H_(2nph)).The crystal structure of 1 has been determined by single-crystal X-ray diffraction analysis.Compound 1 is of triclinic system,space group P1 with a = 10.3251,b = 12.4503,c = 16.6497 ?,α = 88.487(3),β = 72.529(3),γ = 79.991(3)°,V = 2009.8(5) ?~3 and Mr = 945.47.Complex 1 shows a three-dimensional(3 D) framework.Moreover,through intermolecular hydrogen bonds,compound 1 is assembled into a supramolecular structure.The thermal stability and luminescent properties of 1 are also investigated.     

Hydrothermal Synthesis, Crystal Structure and Photoluminescent Property of a Zinc(II) Coordination Polymer Assembled by Phthalate and 4,4′-Bipyridine

1 INTRODUCTION Inorganic coordination polymers or solid-state po- lymers have received considerable attention in the past few years due to their possible applications as new materials in catalysis, adsorption, ion exchange, separation, magnetic devices, etc.[1] Metal coordina- tion polymers containing dicarboxylate ions as the organic spacer have been the subject of particular interest due to their fascinating architectures and ad- vantageous properties, such as bulk magnetic beha- vior, h…     

Synthesis,Structure and Near-infrared Photoluminescent Property of a Tetranuclear Er(Ⅲ) Complex

A tetranuclear erbium complex with pyridine-2,4,6-tricarboxylic acid(H3ptc), [Er4(ptc)4(H2O)18]·6H2O(1), has been synthesized by hydrothermal method. The complex crystallizes in triclinic system, space group P1, with a = 7.620(2), b = 10.459(3), c = 17.418(5) ?, α = 92.351(5), β = 92.080(5), γ = 95.627(4)°, V = 1379.1(7) ?3 and Z = 2. One Er(III) cation is eight-coordinated and the other is nine-coordinated. The complex exhibits characteristic luminescence of erbium cation in near-infrared region upon the excitation of UV-rays. Furthermore, a three-dimensional supramolecular complex was formed by weak hydrogen bonds among the tetranuclear units.     

Synthesis,Crystal Structure and Theoretical Calculations of a New Two-dimensional Co(Ⅱ) Coordination Polymer Based on Oxalic Acid and Bis(imidazol) Ligands

A new Co(Ⅱ) coordination polymer has been successfully synthesized under hydrothermal conditions [Co(C2O4)(mbix)]n(1, H2C2O4 = oxalic acid, mbix = 1,3-bis(imidazol-1-ylmethyl)benzene). Its structure has been determined by elemental analyses, IR, UV spectroscopy and single-crystal X-ray diffraction analysis. Pink crystals crystallize in the triclinic system, space group P1 with a = 8.8666(7), b = 9.5859(8), c = 10.8537(9) , α = 67.6810(10), β = 66.1260(10), γ = 77.1300(10)°, V = 777.77(11), C16H14CoN4O4, Mr = 385.24, Dc = 1.645 g/cm3, F(000) = 394, Z = 2, μ(Mo Kα) = 1.134 mm-1, the final R = 0.0482 and w R = 0.1231 for 2968 observed reflections(Ⅰ 2σ(Ⅰ)). It shows a two-dimensional(2D) network structure. The intermolecular C–H···O hydrogen bonding and π-π stacking interactions extend complex 1 into a 3D supramolecular architecture andplay an important role in stabilizing 1. In addition, Natural Bond Orbital(NBO) analysis was performed by using the PBE0/LANL2 DZ method built in Gaussian 09 Program. The calculation results showed obvious covalent interaction between the coordinated atoms and Co(Ⅱ) ion.     

Synthesis,Crystal Structure and Magnetic Property of a Novel Cu(Ⅱ)-Fluconazole-azide Complex

The title compound formulated as Cu2(C13H11N6OF2)(N3)3CH3OH was synthesized and structurally characterized by elemental analysis,IR and single-crystal X-ray diffraction.In the structure of the complex,the deprotonated fluconazole and azide anion link two copper centers to construct a binuclear SBU and the azide anion exhibits a μ1,1-coordination mode.Each triazole group of fluconazole links two SBUs and the compound exhibits a chain-like architecture with strong antiferromagnetism.     

Synthesis,Crystal Structure,Theoretical Calculation,and Photophysical Property of a New Cd(Ⅱ) Complex Based on N-heterocyclic Ligand and Isophthalic Acid

A new metal-organic coordination complex[Cd(imp)(m-bdc)]_n (1,ipm=5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methoxyphenol,m-bdc=isophthalic acid) has been synthesized by hydrothermal reaction and characterized by elemental analysis,thermogravimetric (TG) analysis,infrared spectrum (IR) and single-crystal X-ray diffraction.Complex 1 crystallizes in monoclinic,space group C2/c with a=15.373(5),b=16.719(5),c=19.406(6)A,β=106.995(5)°,V=4770(2)A³,C₂₈H₁₈Cd N₄O₆,M_r=618.86,D_c=1.724 g/cm³,μ(Mo Kα)=0.971 mm^–1,F(000)=2480,Z=8,the final R=0.0391 and w R=0.1044 for 4701 observed reflections (I>2σ(I)).Single-crystal X-ray diffraction reveals that 1 exhibits a one-dimensional (1D) double-chain architecture,and the H-bond intersections link the 1D double-chain architecture into a 2D layer structure.TG analysis shows clear courses of weight loss,which corresponds to the decomposition of different ligands.We also study the luminescent properties of complex 1.In addition,to elucidate the essential electronic characters of this complex,theoretical calculation analysis was performed by the PBE0/LANL2DZ method in Gaussian 03 Program.     

Synthesis,Crystal Structure and Fluorescence Property of a New Trinuclear Nickel(Ⅱ) Complex Bridged by 2,6-Pyridine Dicarboxylic Acid

A new trinuclear nickel complex,[Ni3(pdc)3(2,2'-bipy)3(H2O)2]·2H2O(H2pdc = pyridine 2,6-dicarboxylic acid,2,2'-bipy = 2,2'-bipyridine) has been hydrothermally synthesized and characterized by IR,elemental analysis and X-ray diffraction methods.Crystal data for this complex:monoclinic,space group P21/n,a = 21.206(4),b = 10.002(2),c = 28.066(6),β = 108.18(3)°,C51H41N9Ni3O16,Mr = 1212.06,V = 5.656(2) nm3,Dc = 1.423 g·cm-3,μ(MoKα) = 1.062 mm-1,Z = 4,F(000) = 2488,GOOF = 1.034,the final R = 0.0543 and wR = 0.1237 for 6149 observed reflections with Ⅰ 2σ(Ⅰ).In the complex,three nickel(Ⅱ) ions are bridged by the pyridine 2,6-dicarboxylic acid groups,and all nickel(Ⅱ) ions are seven-coordinated by nitrogen atoms of 2,2'-bipyridine and pyridine 2,6-dicarboxylic acid and oxygen atoms from pyridine 2,6-dicarboxylic and water to adopt a severely distorted pentagonal bipyramidal geometry.The emission and excitation peaks of the complex in ethanol solutions are located at 336 and 316 nm,respectively.     

Synthesis,Crystal Structure and Theoretical Calculations of a Three-dimensional Supramolecular Cadmium(Ⅱ) Coordination Polymer

A new metal-organic cadmium coordination polymer [Cd(pzdc)0.5(L)]n·n H_2O(1, H2 pzdc = pyrazine-2,3-dicarboxylic acid, HL = 3-(2-pyridyl)pyrazole) has been successfully synthesized under hydrothermal conditions. The structure has been determined by single-crystal X-ray diffraction analysis, elemental analyses, IR and fluorescence spectrum. Brown crystals crystallize in the orthorhombic system, space group Fdd2 with a = 11.2636(9), b = 38.296(3), c = 10.5795(8) ?, V = 4563.5(6) ?3, C11 H9 CdN 4 O3, Mr = 357.62, Dc = 2.082 g/cm3, μ(Mo Kα) = 1.924 mm-1, F(000) = 2800, Z = 16, the final R = 0.0169 and w R = 0.0443 for 2106 observed reflections(I 2s(I)). It shows a two-dimensional network structure and extends into a three-dimensional supramolecular framework through π-π stacking interactions. Moreover, we analyzed Natural Bond Orbital(NBO) by using the PBE0/LANL2 DZ method built in Gaussian 03 Program. The calculation results showed obvious covalent interaction between the coordinated atoms and Cd(Ⅱ) ion.     

Hydrothermal Synthesis, Crystal Structure and Photoluminescent Property of a Zinc（II） Complex with 2,2′-Diphenic Acid and 2,2′-Bipyridine Ligands

A new dinuclear complex [Zn(dpa)(bipy)(H2O)]2 (dpa = 2,2'-diphenic acid, bipy = 2,2'-bipyridine) 1 has been hydrothermally synthesized and structurally characterized by elemental analysis, IR, fluorescence spectrum and single-crystal X-ray diffraction. The complex crystallizes in monoclinic, space group P21/c with a = 10.960(2), b = 9.4841(18), c = 20.599(4), β = 104.452(3)o, V = 2073.4(7)3, C48H36N4O10Zn2, Mr = 959.55, Dc = 1.537 g/cm3, μ(MoKα) = 1.225 mm-1, F(000) = 984, Z = 2, the final R = 0.0364 and wR = 0.0843 for 2788 observed reflections (I > 2σ(I)). In the crystal structure, the zinc atom is five-coordinated with two carboxylate oxygen atoms from different dpas, one coordinated water molecule and two nitrogen atoms from bipy ligands, showing a slightly distorted triangular bipyramidal geometry. Furthermore, it exhibits a zero-dimensional network structure with a sixteen-membered ring and shows yellow photoluminescent property at room temperature.     

A New Mn(Ⅱ) Complex Assembled by 2,5-Dihydroxy-1,4-benzenedicarboxylic Acid and 2,2'-Bipyridine: Synthesis,Structure and Theoretical Calculation

A new complex [Mn(DHTA)(bipy)_(0.5)]n(1, H_2 HTA = 2,5-dihydroxy-1,4-benzenedicarboxylic acid, bipy = 2,2'-bipyridine) was hydrothermally synthesized and structurally characterized by elemental analysis, IR spectrum, single-crystal and power X-ray diffraction. It belongs to monoclinic system, C2/c space group with a = 12.874(13), b = 11.302(12), c = 17.352(18) ?, β = 101.574(15)°, V = 2474(4) ?3 and Z = 4. It displays a one-dimensional zigzag chain-like structure, which was further extended into a three-dimensional supramolecular structure by hydrogen bonds and π-π interactions. Moreover, we analyzed Natural Bond Orbital(NBO) of 1 in using the PBE0/LANL2 DZ method built in Gaussian 03 Program. The calculation results show the obvious covalent interaction between the coordinated atoms and Mn(Ⅱ) ion.