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1.
A three-dimensional(3D) coordination polymer,[Cd(SC)(DPPD)]_n(1,H_2SC = succinic acid and DPPD = 3,6-di(4-pyridyl)pyridazine),has been synthesized by the solvothermal reaction of Cd(NO_3)_2·4H_2O with H_2 SC and DPPD at 120 oC in DMF solvent. Compound 1 crystallizes in the monoclinic system,space group P2_1/c,with a = 10.7993(4),b = 11.7705(3),c = 13.5336(6) ?,V = 1678.89(11) ?~3,Z = 4,C18H14N4O_4 Cd,M_r = 462.73,D_c = 1.831 g/cm~3,μ = 1.335 mm~(-1),F(000) = 920.0,the final R = 0.0500 and wR = 0.1567 for 3714 observed reflections with I 2s(I). In compound 1,the Cd(Ⅱ) ions are linked by the SC~(2–) ligands to give a two-dimensional(2D) undulating sheet based on the centrosymmetric dinuclear Cd_2(COO)_2 units. The 2D sheets are further connected by the DPPD ligands to produce a 3D structure,which is a 6-connected(4~4·6·~(10)·8) topological network based on the dinuclear Cd_2(COO)_2 node. Compound 1 exhibits a photoluminescent emission with a maximum at 540 nm upon excitation at 460 nm.  相似文献   

2.
A silicon-based tetracarboxylate connector has been prepared and employed in the construction of new metal-organic framework(MOF) material. A novel Cd(Ⅱ) coordination compound, namely, [Cd_4(H_2O)(L)(DMA)_2]_n(1, H_4L = 5,5?-(diphenylsilanediyl) diisophthalic acid, DMA = N,N-dimethylacetamide) has been successfully synthesized based on the ligand. X-ray single-crystal structure analysis reveals that polymer 1 crystallizes in monoclinic, space group P1 with a = 10.3335(11), b = 14.1557(15), c = 22.004(2) ?, α = 72.308(2), β = 88.105(2), γ = 88.363(3)o, V = 3064.2(6) ?~3, Cd_4Si_2C_(64)N_2O_(19)H_(52), Mr = 1659, Dc = 1.790 g/cm~3, μ(Mo Kα) = 1.486 mm~(-1), F(000) = 1630, Z = 2, the final R = 0.0660 and w R = 0.1302 for 12069 observed reflections(I 2σ(I)). Its structure has been further characterized by elemental analysis, thermogravimetric analyses and IR spectroscopy. Additionally, luminescent property of the title compound has been explored, and shows intense photoluminescent property in the solid state at room temperature.  相似文献   

3.
A new coordination polymer, [Cd_2(NIPH)(L)_2(H_2O)]n(1, HL = 3-(2-pyridyl)pyrazole and H_2NIPH = 5-nitroisophthalic acid), has been synthesized. The structure of complex 1 has been characterized by X-ray single-crystal diffraction, elemental analysis, IR spectrum analysis, thermogravimetric analysis and fluorescence spectrum analysis. Complex 1 belongs to the triclinic system, space group P1 with a = 8.9539(6), b = 11.6252(8), c = 12.2472(8) ?, α = 80.011(2), β = 80.3850(10), γ = 86.773(2)°, V = 1237.37(14) ?~3, Z = 2, D_c = 1.987 g/cm~3, μ = 1.780 mm~(-1), M_r = 740.25, F(000) = 724, the final R = 0.0295 and wR = 0.1015 with I 2σ(I). Two H_2NIPH as monodentate and bidentate ligands and two L ligands link four Cd(Ⅱ) ions to form a tetranuclear subunit. Each pair of the tetranuclear subunits is bridged by NIPH ligands to yield a one-dimensional double-chain structure. Furthermore, the 1D chains are linked into a 3D supramolecular framework with hydrogen bonds and π-π interactions. In addition, we analyzed Natural Bond Orbital(NBO) in using the PBE0/LANL2DZ method built in Gaussian 03 Program. The calculation results indicated the obvious covalent interaction between the coordinated atoms and Cd(Ⅱ) ion.  相似文献   

4.
The reaction of Cd(NO_3)_2·4H_2O with 4,4?-dipyridylacetylene(4,4?-DPA) and 2-nitroterephthalic acid(2-NO_2-H_2BDC) in DMF/H_2O mixed solvent has afforded a compound {[Cd(2-NO_2-BDC)(4,4?-DPA)]·(DMF)}_n(1). Compound 1 has been characterized by single-crystal X-ray diffraction, powder X-ray diffraction, thermogravimetry analysis, and IR spectrum. Compound 1 crystallizes in the monoclinic system, space group P21/n, with a = 12.1488(3), b = 14.6689(3), c = 13.1615(3) ?, β = 111.809(3)o, V = 2177.63(9) ?~3, Z = 4, C_(23)H_(18)N_4O_7 Cd, M_r = 574.81, D_c = 1.753 g/cm~3, μ = 8.523 mm~(-1), F(000) = 1152, the final R = 0.0411 and wR = 0.1064 for 3589 observed reflections with I 2s(I). In compound 1, the Cd(Ⅱ) ions are linked by the carboxylate groups of 2-NO_2-BDC ligands to give a two-dimensional layered structure based on the centrosymmetric dinuclear Cd_2(COO)_2 units, which are further connected by the 4,4?-DPA ligands to produce a three-dimensional framework with pcu topology. Careful examination revealed that compound 1 is a 2-fold interpenetrating framework. Furthermore, the gas adsorption properties of 1 for N_2 and CO_2 have also been investigated.  相似文献   

5.
A new 3D coordination polymer, [Cd_2(L)(bpb)_2]_n(1, H_4L = 1,4-di(2,6-dimethyl-3,5-dicarboxypyridyl) benzene, bpb = 1,4-bis(4-pyridyl) benzene, has been hydrothermally synthesized and characterized by single-crystal X-ray diffraction analysis, elemental analysis, TGA, IR spectroscopy and UV-Vis spectrum. Complex 1 crystallizes in orthorhombic, space group C2221, with a = 10.9393(12), b = 20.900(3), c = 20.027(2) ?, β = 90°, V = 4578.9(9) ?~3, Dc = 41.668 Mg/cm~3, M_r = 1149.74, F(000) = 2312.0, μ = 0.996 mm~(–1), Z = 4, the final R = 0.0316 and wR = 0.0786 for 4271 observed reflections with I 2σ(I). Structural analysis shows that 1 possesses a 3D network based on the 2D layer bridged by L~4-ligands, while the 2D layers are composed of the adjacent 1D chains joined by L~4-ligand. The photoluminescent investigation indicates that one broad emission band with the maximum of 445 nm can be observed in 1. Moreover, compound 1 has high photocatalytic degradation effects on methylene blue under UV irradiation.  相似文献   

6.
<正>A three-dimensional coordination polymer {[Cd_2(HCAM)_2(H_2O)_4]·3.5H_2O}_n was synthesized by the hydrothermal reaction of H_3CAM(H_3CAM=4-hydroxypyridine-2,6-dicerboxylic acid)and Cd(NO_3)_2·4H_2O.The structure was characterized by elemental analysis,thermal gravimetric analysis,infrared spectroscopy and single-crystal X-ray diffraction.It crystallizes in triclinic,space group P_1~-with a= 9.4389(19),b=11.009(2),c=11.192(2)(?),α=87.87(3),β= 74.63(3),γ=81.22(3)°,V=1108.2(4)(?)~3,Z=2,D_c=2.164g/cm~3,μ=2.011 mm~(-1),F(000)=710,R =0.0419 and wR=0.1170.X-ray analysis reveals that the title compound adopts a one-dimensional staircase structure by carboxyl of H_3CAM and water molecules,and it is further linked by hydrogen bonds to form a 3-D metal-organic open framework.The thermal gravimetric analysis displays that the framework exists stably below 300℃.  相似文献   

7.
A new 2D coordination polymer, {[Cd_5(BTC)_2(L)_4(H_2O)_2]_n·2H_2O}_n(1, H_3BTC = 1,3,5-benzenetricarboxylic acid, HL = 3-(2-pyridyl)pyrazole) was synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction, powder XRD, IR, TGA, fluorescence spectrum and elemental analysis techniques. Complex 1 belongs to the monoclinic system, P2_(1/c) space group, with a = 8.8732(4), b = 17.5179(7), c = 17.8123(7) ?, β = 103.1830(10)°, V = 2695.77(19) ?~3 and Z = 2. It features a 2D network constructed by BTC and L ligand. In addition, we analyzed Natural Bond Orbital(NBO) by using the PBE0/LANL2DZ method built in Gaussian 09 Program. The calculation results indicated obvious covalent interactions between the coordinated atoms and Cd(Ⅱ) ion.  相似文献   

8.
One two-dimensional coordination polymer with a formula of {[Cd(L)(imidazole)(H_2O)](H_2O)}n(1) was obtained by the synthetic reactions in aqueous solution using a newly synthesized H_2L(H_2L = methyl-3-hydroxy-5-carboxy-2-thiophenecarboxylate) ligand.Compound1 crystallizes in monoclinic system,space group C2/c with a = 18.3176(11),b = 8.5366(9),c =8.4152(5) ?,β = 101.789(6)o,V = 2797.1(3) ?~3,D_c = 1.979 g/cm~3,C_(10)H_(12)N_2O_7SCd,Mr = 416.68 F(000) = 1648,μ = 1.745 mm~(-1),F(000) = 1648,the final R = 0.0323 and wR = 0.0604 for 2604 observed reflections with I 2s(I).Structure analyses reveal that the compound is constructed by dinuclear Cd(Ⅱ) clusters bridged by two hydroxyl oxygens of L~(2-)anions,which features a two-dimensional network with 4-connected sql topology.Furthermore,the compound exhibits high thermal stability and intense fluorescent emission,and could be explored for potentia luminescent materials.  相似文献   

9.
A new Cd~Ⅱ coordination complex,namely [Cd(iba)_2]_n(1),was prepared by the hydrothermal reaction of Cd(NO_3)_2·4H_2O with 4-imidazol-1-yl-benzoic acid(Hiba). Single-crystal X-ray diffraction analysis shows that compound 1 crystallizes in monoclinic system,space group Cc with a = 11.403(4),b = 30.480(9),c = 7.732(3) ?,β = 130.189(4)o,V = 2503.0(1) ?~3,Z = 4,C_(22)H_(18)CdN_4O_4,Mr = 514.80,Dc = 1.666 g/cm~3,F(000) = 1032 and μ(Mo Kα) = 1.101 mm-1. The final R and wR are 0.0573 and 0.1823 for 4421 observed reflections with I 2σ(I). Each iba-ligand coordinates in a bidentate fashion,connecting the Cd(Ⅱ) atoms to form a 2D wave-shape layer structure,which can be simplified as a four-connected topological net. Interestingly,the 2D layers are further extended into a 3-fold interpenetrating 3D architecture. Compound 1 displays an emissive maximum at 455 nm in the solid state at room temperature and a response of the second harmonic generation(SHG) activity is approximately 0.8 times that of KDP.  相似文献   

10.
A Cd-containing metal–organic framework(Cd L), formula as {[Cd_3(L)_2(H_2O)_6] 1.5DMF}, has been synthesized under solvothermal condition by the reaction of 4,40,400-(methylsilanetriyl)tribenzoic acid(H_3L) and Cd~(2+)ion. Single-crystal X-ray diffraction reveals that Cd L displays a three-dimensional framework with 2-fold interpenetration and DMF molecules locate in the void space of the channels. A topological analysis of the framework indicates Cd L is a 3,4-connected pto net. The photoluminescence properties of Cd L are systematically studied in detail. Impressively, Cd L shows excellent detection performance towards Fe~(3+)ion and acetone in the sensing experiments, which undoubtedly demonstrates the great potential of Cd Lasa highly selective multi-responsive luminescent sensor for the detection of organic solvents and metal ions.  相似文献   

11.
A new dinuclear cadmium(Ⅱ) complex,[Cd(NPHSNPAB)(H_2O)_2(CH_3CH_2OH)]_2(1),was synthesized by the hydrothermal reaction of N-phenyl-2-[2-hydroxyl-3-sulfo-5-nitrophenylazo]butadiene-1,3(NPHSNPAB) and Cd(NO_3)_2·4H_2O,and characterized by elemental analysis,infrared,UV-visible,fluorescence,thermal behavior and single-crystal X-ray diffraction. For this complex: C_(36)H_(42)Cd_2N_8O_(22)S_2,Mr = 1227.74,triclinic system,space group P1,a = 7.555(9),b = 12.006(14),c = 13.943(16) ?,α = 67.955(2),β = 88.573(2),γ = 77.550(2)o,V = 1142.5(2) ?~3,Z = 2,Dc = 1.784 g/cm~3,λ = 0.71073 ?,F(000) = 620,S = 1.125,R = 0.0460 and w R = 0.1159 for 3949 observed reflections with I 2(I). X-ray diffraction analysis reveals that the central Cd(Ⅱ) ion is bound by six oxygen atoms,forming a slightly distorted octahedral geometry. Density functional theory of complex 1 was studied. Noticeably,the application of 1 on metallic yarn got good effect.  相似文献   

12.
A novel 3D hetero-nuclear framework,namely [K_2Cd_5(Hbptc)_4(H_2O)_(12)·12H_2O]_n(1,H4 bptc = biphenyl-2,3,3?,5?-tetracarboxylic acid),was obtained by hydrothermal reaction. X-ray singlecrystal structure analysis reveals that polymer 1 crystallizes in orthorhombic,space group Pbcn with a = 26.6152(13),b = 11.7449(5),c = 29.5923(14) ?,V = 9250.3(7) ?~3,C_(64)H_(76)Cd_5K_2O_(56),Mr = 2381.44,Dc = 1.710 g/cm~3,μ(MoK α) = 1.323 mm~(-1),F(000) = 4744,Z = 4,the final R = 0.0668 and wR = 0.1135 for 10613 observed reflections(I 2σ(I)). Polymer 1 displays a 3D network that is built on the unprecedented heterobimetallic [Cd_3Cd_2K] molecular building block with a(3,4)-connected(6·8·8)2(6·6·82·82·126·126) topology which represents a rare 2-fold interpenetrating 3D framework topology network. The luminescence analyses reveal that polymer 1 shows obvious emission at room temperature in the solid state. In addition,it was also characterized by elemental,IR spectra and TG analyses.  相似文献   

13.
Two 1D chain metal-organic framework complexes, {Co[(C_(10)H_5N_3O_5)-(H_2O)_2·H_2O]}n(1) and {Cd[(C_(10)H_5N_3O_5)(H_2O)_2]}_n(2), based on a T-shaped tripodal ligand 4-(4,5-dicarboxy- 1H-imidazol-2-yl) pyridine 1-oxide(H3DCImP y O) have been reacted under hydrothermal conditions, and were characterized by single-crystal X-ray structure analysis, fluorescent analysis and thermal gravimetric analysis. According to single-crystal X-ray determination, complex 1 crystallizes in the monoclinic system, space group P21/n with a = 9.4930(13), b = 13.2024(18), c = 10.5203(14) ?, β = 98.402(2)°, Z = 4, V = 1304.4(3) ?3; and complex 2 crystallizes in the monoclinic system, space group C2/c with a = 13.557(3), b = 13.568(3), c = 6.7804(13) ?, β = 105.095(2)°, Z = 4 and V = 1204.2(4) ?3. Fluorescent analysis of complex 2 showed an intense emission band at 466 nm when the exciting radiation was set at 360 nm. Dielectric constants of complexes 1 and 2 were measured at different frequencies with temperature variation.  相似文献   

14.
A new complex [Cd_2(L)_2(Cl)_2(H_2O)]_n(1) was synthesized by reacting CdCl_2·2.5 H_2O with 4-(1,2,4-triazol-4-yl)phenylacetic acid(HL) ligand.The structure of the complex was characterized by single-crystal X-ray diffraction,IR spectroscopy,elemental analysis and PXRD.Complex 1 crystallizes in triclinic,space group P21/c with a = 11.4303(8),b = 14.1792(10),c = 14.6857(10) ?,β = 96.3780(10)o,V = 2365.4(3) ?~3,Z = 4,C_(20)H_(16)Cl_2N_6O_5Cd_2,M_r = 716.09,D_c = 2.011 g/cm3,μ = 2.069 mm~(-1),S = 1.051,F(000) = 1392,the final R = 0.0458 and wR = 0.0949 for 5402 observed reflections(I 2σ(I)).Complex 1 is a two-dimensional(2D) layer structure and non-covalent bonding interactions such as C–H···π and π···π extend the 2D to form a three-dimensional supramolecular polymer.  相似文献   

15.
The title complex N,O-bis{2-[[(2,6-benzhydryl-4-methylphenyl)imino]-methyl]-phenol}-palladium(II)(C_(80)H_(64)N_2O_2 Pd) has been synthesized by the reaction of 2-[[(2,6-benzhydryl-4-methylphenyl)imino]-methyl]-phenol with Pd(CH_3COO)_2, and characterized by IR spectrum and elemental analysis. The spatial structure of the complex has been verified by single-crystal X-ray diffraction analysis. The compound belongs to the monoclinic system, space group P21/n with a = 13.492(3), b = 16.924(3), c = 14.135(3) ?, β = 97.84(3)°, V = 3197.4(11) ?~3, C_(80)H_(64)N_2O_2 Pd, Mr = 1191.73, Z = 2, Dc = 1.238 Mg/m~3, μ = 0.339 mm~(-1), F(000) = 1240, T = 293(2) K, the final R = 0.0593 and wR = 0.1192(I 2s(I)). The compound showed excellent catalytic activity up to 1.130 × 10~7 g of PNB(mol of Pd)~(-1)h~(-1) for the addition polymerization of norbornene by using methylaluminoxane(MAO) as a cocatalyst.  相似文献   

16.
Two new Zn~Ⅱ coordination polymers,namely,[Zn L(o-bdc)]n(1) and [Zn L(mbdc)]_n·n H_2O(2)(L = 4?-(3-pyridyl)-3,2?:6?,3??-terpyridine,H_2(o-bdc) = benzene-1,2-dicarboxylic acid,H_2(m-bdc) = benzene-1,3-dicarboxylic acid),were synthesized by hydrothermal methods. The crystal structures have been determined by single-crystal X-ray diffraction. Compound 1 crystallizes in monoclinic C2/c space group,with a = 28.016(2),b = 11.3815(11),c = 19.8071(17) ?,β = 133.961(2)°,V = 4546.2(7) ?3,Z = 8,Mr = 539.83,Dc = 1.577 Mg/m~3,μ = 1.127 mm-1,F(000) = 2208,the final R = 0.0426 and w R = 0.0986 for 2875 observed reflections with I 2σ(I) and displays a 1D coordination chain. While compound 2 crystallizes in monoclinic C2/c space group,with a = 15.6003(14),b = 11.9152(11),c = 26.633(3) ?,β = 94.320(2)°,V = 4936.5(8) ?~3,Z = 4,M_r = 1115.67,Dc = 1.496 Mg/m~3,μ = 1.043 mm~(-1),F(000) = 2272,the final R = 0.0499 and w R = 0.1342 for 2659 observed reflections with I 2σ(I) and shows a classical 3D cds topological network with point symbol of {65.8}. Furthermore,thermal stability and luminescent properties of 1 and 2 have also been investigated.  相似文献   

17.
A novel coordination polymer, namely [Zn_2(CAPA)(DMA)(H_2O)]_(2n)·n(H_2O)(1,H_4CAPA = 5-(bis(4-carboxybenzyl) amino) isophthalic acid, DMA = N,N-dimethylacetamide) has been synthesized through a solvothermal method and characterized by single-crystal X-ray diffraction, elemental analysis, infrared spectra, and thermogravimetric analyses. The crystal structure is of monoclinic, space group P21/n with a = 8.0585(5), b = 18.9733(10), c = 20.2044(14) ?, β = 101.144(7)o, V = 3030.9(3) ?~3, C_(56)H_(54)Zn_4N_4O_(21), M_r = 1378.58, Z = 2). The compound forms a three-dimensional(3D) supramolecular framework by linking adjacent layers via hydrogen bonds and π···π interactions. It is interesting that the crystal structure is much related to the flexibility and configuration of the ligand. In addition, the thermal stability and luminescence properties for the compound have also been investigated.  相似文献   

18.
A new Zn(Ⅱ) compound, namely {Zn(BTA)(pdc)_(0.5)}_n(1, HBTA = 1,2,3-benzotriazole, H_2pdc = terephthalic acid), has been hydrothermally synthesized and characterized by elemental analysis, infrared analysis, powder X-ray diffraction analysis and single-crystal X-ray structural analysis. The crystal structure is of monoclinic system, space group P21/c with a = 10.751(3), b = 9.792(3), c = 9.292(3) ?, β = 95.391(4)°, V = 973.9(5) ?3, C10H6N3O2 Zn, Mr = 265.57, Z = 4, Dc = 1.811 g/cm3, F(000) = 532, μ = 2.506 mm-1, R = 0.0221 and w R = 0.0605 for 2075 observed reflections(I 2s(I)). Single-crystal X-ray structural analysis reveals that compound 1 features a three-dimensional(3D) framework with 4-connected bbf topology. Moreover, the thermogravimetric(TG) analysis and photoluminescent property of 1 were also discussed.  相似文献   

19.
A new perchlorate salt of metalloporphyrin, {H_3[CuTPyP]}(ClO4)_3(2, H_2TPyP = 5,10,15,20-tetra-4-pyridyl-21 H,23H-porphine), was synthesized as pure single crystals by simple diffusion, which was characterized by single-crystal X-ray diffraction, ~1H NMR, ESI-MS, EPR, elemental analysis, FT-IR, UV-Vis and luminescent spectra. There is one cation of {H_3[CuTPyP]}~(3+) and three anions of perchlorate in the asymmetric unit cell of the title compound. The adjacent cations of {H_3[CuTPyP]}~(3+) are packed into 1D chains, which are further connected into a 2D layer through the N(7)–H(7A)···N(6~(#1)) hydrogen bond.  相似文献   

20.
Two compounds have been obtained by the reaction of metal(Cu(II)), 4,4?-bis(imidazol-l-yl)diphenyl thioether(BIDPT) with two carboxylic acids, 4,4?-oxydibenzoic acid(H_2oba) and phthalic acid(H_2pht). The crystal structures of the resulting compounds, namely {[Cu(BIDPT)(oba)]·H2O}n(1) and {Cu(BIDPT)(pht)}n(2), have been determined by single-crystal X-ray diffraction analysis. Compound 1 is of orthorhombic system, space group Pbcn with a = 27.8310(3), b = 10.7791(1), c = 19.3913(2) ?, V = 5817.0(3) ?3 and Mr = 656.15. Compound 2 belongs to the monoclinic system, space group C2/c with a = 18.2678(2), b = 11.0259(1), c = 22.906(2) ?, β = 97.727(2)o, V = 4571.8(8) ?3 and Mr = 545.04. Structural analyses reveal that compounds 1 and 2 respectively exhibit two-dimensional(2D) wavy and corrugated layer structures. Through intermolecular hydrogen bonding, compound 1 is assembled into a 3D supramolecular structure. The thermal stability and ultraviolet spectroscopy properties of the two compounds are also investigated.  相似文献   

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