A new AgO) coordination polymer, {[Ag(1,3-BIP)(H20)][Ag(1,3- BIP)(PMA)0.5.- 4H20}n (PMA = 1,2,4,5-benzenetricarboxylic acid, 1,3-BIP = 1,3-bis(imidazole)propane), have been synthesized and characterized b...A new AgO) coordination polymer, {[Ag(1,3-BIP)(H20)][Ag(1,3- BIP)(PMA)0.5.- 4H20}n (PMA = 1,2,4,5-benzenetricarboxylic acid, 1,3-BIP = 1,3-bis(imidazole)propane), have been synthesized and characterized by single-crystal X-ray diffraction, powder XRD, FTIR, TGA and elemental analysis techniques. The single-crystal X-ray diffraction reveals that the title complex is formed by 1D polymeric cationic chains of [Ag(1,3-BIP)(H2O)]n^n+ and 2D polymetric anionic layer of [Ag(1,3-BIP)(PMA)0.5]n^n-, which are further linked by intermolecular H-bonding to form a 3D supramolecular framework. In addition, the photoluminescence property of the title complex in the solid state at room temperature was also investigated.展开更多
The reaction of flexible bis(imidazole) ligand and 1,2-bis(imidazol-l'-yl)methane (bimm) with Co(Ⅱ) salt under ionothermal method resulted in the formation of a new coordination polymer {[Co(bimm)3]·...The reaction of flexible bis(imidazole) ligand and 1,2-bis(imidazol-l'-yl)methane (bimm) with Co(Ⅱ) salt under ionothermal method resulted in the formation of a new coordination polymer {[Co(bimm)3]·(PF6)2}n (1). X-ray single-crystal diffraction determination reveals that 1 crystallizes in the triclinic Pi space group, with α = 8.647(6), b = 12.092(9), c = 14.967(1 l) A, α = 88.912(8), β = 81.199(8), ), = 89.395(8)°, V= 1546 (2) A3, Z = 2, Mr = 793.39, Dc= 1.704 Mg/m3,μ = 0.768 mm-1 F(000) = 798, the final R = 0.0626 and wR = 0.1634 for 4319 observed reflections with I〉 2σ(I). In compound 1, the Co(lI) ion is connected to another Co(ll) by two bimm ligands to form 1D double chains which are further linked by bimm ligands to form a 2D wavelike layer. Topologically, the structure of 1 represents a uninodal 2D 4-connected sq1/Shubnikov tetragonal plane net. Moreover, thermogravimetric analyses and photocatalytic property for 1 have also been investigated.展开更多
Solvothermal reaction of Pb(NO3)2·6H2O with rigid linear ligand terephthalic acid(H2pta) in N,N-dimethylformamide(DMF) produced a new three-dimensional(3D) lead(Ⅱ)coordination polymer[Pb2(pta)1.5(μ...Solvothermal reaction of Pb(NO3)2·6H2O with rigid linear ligand terephthalic acid(H2pta) in N,N-dimethylformamide(DMF) produced a new three-dimensional(3D) lead(Ⅱ)coordination polymer[Pb2(pta)1.5(μ4-OH)(DMF)]n 1,and its structure was characterized by single-crystal X-ray diffraction analyses.In polymer 1,the μ4-OH bridges the nearby lead(Ⅱ) ions into an infinite one-dimensional(1D) chain,and then the organic ligand pta^2- joins the neighbored chains into a 3D structure by two similar connection modes in different configurations.The solid-state photoluminescent studies revealed that 1 exhibits a strong greenish emission mainly originating from ligand-to-metal charge transfer between the delocalized π bonds of the aromatic carboxylate ligand pta^2- and the p orbitals of the Pb^2+ centers.展开更多
A novel Dy^(3+) coordination compound,(H_2pipz)(H_3O)[Dy(pydc)_3]·11H_2O(1,pipz = piperazine and H_2pydc = pyridine-2,6-dicarboxylic acid),has been hydrothermally synthesized and characterized by X-ray...A novel Dy^(3+) coordination compound,(H_2pipz)(H_3O)[Dy(pydc)_3]·11H_2O(1,pipz = piperazine and H_2pydc = pyridine-2,6-dicarboxylic acid),has been hydrothermally synthesized and characterized by X-ray single-crystal diffraction,elemental analysis. It is interesting that the packing structure of compound 1 contains 22-core water clusters. Compound 1 is extended into a threedimensional supramolecular structure via O···H···O hydrogen bonding interactions. Furthermore,the luminescent property of compound 1 was also investigated.展开更多
Using a rigid azo ligand 4-[(8-hydroxy-5-quinolinyl)azo]-benzoic acid(H2 L),a new supramolecular compound [Zn(L)(H2O)2]n(1) has been solvothermally synthesized and structurally characterized by X-ray single-...Using a rigid azo ligand 4-[(8-hydroxy-5-quinolinyl)azo]-benzoic acid(H2 L),a new supramolecular compound [Zn(L)(H2O)2]n(1) has been solvothermally synthesized and structurally characterized by X-ray single-crystal diffraction,infrared spectrum,elemental analysis,power X-ray diffraction and thermal analysis.Compound 1 crystallizes in monoclinic,space group C2/c with a = 30.372(8),b = 11.415(3),c = 9.248(3) A,β = 106.94(3)o,V = 3067.20(15)A3,C(16)H(13)N3O5Zn,Mr = 392.66,Z = 8,Dc = 1.701 Mg/m^3; F(000) = 1600,μ = 1.636 mm^-1,reflections collected:7290,reflections unique:2735,R(int)= 0.0282,R = 0.0351,wR(all data) = 0.0919,GOOF on F^2 = 1.036.Compound 1 exhibits a one-dimensional(1 D) zig-zag chain structure connected into a three-dimensional(3D) supramolecular network through hydrogen bonding interactions.Fluorescent property and electrochemical property were detected on compound 1.展开更多
An organotin(Ⅳ) complex [(CH3)2Sn(4-FC6H4CONHO)2] has been synthesized and characterized by elemental analysis, IR, ^1H NMR and X-ray single-crystal diffraction techni- ques. The crystal belongs to the orthorho...An organotin(Ⅳ) complex [(CH3)2Sn(4-FC6H4CONHO)2] has been synthesized and characterized by elemental analysis, IR, ^1H NMR and X-ray single-crystal diffraction techni- ques. The crystal belongs to the orthorhombic system, space group Pbca with a = 9.7565(13), b = 17.664(2), c = 20.784(3)A, Z = 8, V = 3581.9(8)A^3 Dc = 1.695 g/cm^3,μ(MoKa) = 1.469 mm^-1, F(000) = 1808, R = 0.0321 and wR = 0.0838. In the molecular structure of the title complex, the tin atoms are five-coordinated in a trigonal bipyramidal geometry, and the special coordination properties of dimethyltin(Ⅳ) with hydroxamate-type ligands are also discussed.展开更多
Two lanthanide coordination polymers, [Eu(HL)(L)(H2O)2]n(1) and [Tb(H0.5L)2]n(2), based on bifunctional 5-(1H-imidazol-1-yl) isophthalic acid(H2L), are hydrothermally synthesized and characterized by b...Two lanthanide coordination polymers, [Eu(HL)(L)(H2O)2]n(1) and [Tb(H0.5L)2]n(2), based on bifunctional 5-(1H-imidazol-1-yl) isophthalic acid(H2L), are hydrothermally synthesized and characterized by both single-crystal and powder X-ray diffraction analyses, and FT-IR. In compound 1, the basic inorganic building unit of the coordination network is the dinuclear [Eu2(COO)6] cluster. Each [Eu2(COO)6] cluster connects four HL^- ligands and each HLligand links two [Eu2(COO)6] clusters, resulting in a 2D coordination layer. The adjacent 2 D layers are further connected via neighboring inter-layer hydrogen bonds to give a 3D supramolecular structure. In compound 2, the Tb^3+ is coordinated to six oxygen atoms. Each Tb^3+ ion connects six ligands and each ligand links three Tb^3+ ions, leading to a 3D coordination polymeric network which exhibits remarkably high thermal stability up to 500℃. Furthermore, due to the successful incorporation of Tb^3+, compound 2 displays characteristic luminescent emission in the solid state at room temperature. The combination of high thermal stability and fluorescent property of compound 2 would make it as a promising light-emitting material.展开更多
Two manganese(II) coordination polymers, namely, {[Mn(PIP)(BIBP)]·(BIBP)0.5}n(1) and {[Mn(PTA)(BIMBP)(H2O)]·H2O(0.69)}n(2)(H2PIP = 5-(4-pyridyl)-isophthalic acid, H2 PTA =6-(4-pyridyl...Two manganese(II) coordination polymers, namely, {[Mn(PIP)(BIBP)]·(BIBP)0.5}n(1) and {[Mn(PTA)(BIMBP)(H2O)]·H2O(0.69)}n(2)(H2PIP = 5-(4-pyridyl)-isophthalic acid, H2 PTA =6-(4-pyridyl)-terephthalic acid, BIBP = 4,4?-bis(imidazol-1-yl)biphenyl, and BIMBP =4,4?-bis(imidazol-1-ylmethyl)biphenyl), have been synthesized by using the bifunctional pyrinde-benzene carboxylic acids and bis(imidazole) linkers as mixed ligands to react with Mn SO4,and further characterized by elemental analysis, IR, and PXRD. Compound 1 is in the triclicnic system, space group P1 with a = 10.1089(8), b = 13.1927(12), c = 14.0638(12)A, α = 69.437(2), β= 73.2890(10), γ = 78.5320(10)o, V = 1671.9(2) A^3, Z = 2, Dc = 1.449 g/cm^3, F(000) = 705,μ(MoK α) = 0.453 mm^-1, S = 1.053, R = 0.0491 and wR = 0.1367 for 5837 unique reflections(Rint =0.0208) with I 〉 2σ(I). Compound 2 belongs to the monoclicnic system, space group C2/c with a =15.199(3), b = 19.731(3), c = 21.537(5) ?, β = 105.228(3)o, V = 6232(2) A^3, Z = 8, Dc = 1.363g/cm^3, F(000) = 2648, μ(MoK α) = 0.475 mm^-1, S = 1.048, R = 0.0489 and wR = 0.1151 for 7414 unique reflections(Rint = 0.0425) with I 〉 2σ(I). Structural analyses reveal that complex 1 is a4-connected(44.62)-sql bilayer structure with binuclear [Mn2(COO)2] SBU, while complex 2 is a normally(3,5)-connected(42.67.8)(42.6)-3,5L2 monolayer. And the sheets interacted with the adjacent sheets through weak interactions, finally giving a stable three-dimensional(3D)supramolecule. Besides, the variable-temperature magnetic susceptibility measurement of complex1 was investigated.展开更多
Two cobalt coordination polymers with the same 2D structure have been hydrothermally synthesized based on two bifunctional ligands with tetrazole and phosphonate(phosphonic acid) groups,namely,diethyl 4-(2H-1,2,3,4...Two cobalt coordination polymers with the same 2D structure have been hydrothermally synthesized based on two bifunctional ligands with tetrazole and phosphonate(phosphonic acid) groups,namely,diethyl 4-(2H-1,2,3,4-tetrazol-5-yl) benzylphosphonate(C_2H_5-L1) and 4-(2H-1,2,3,4-tetrazol-5-yl)benzylphosphonic acid(H_2L2). The structures of the two complexes are characterized by elemental analysis,IR,TGA and X-ray single-crystal/powder diffraction. The pink block crystals of complex [Co(L1)(H_2O)]·H_2O(1) belong to the monoclinic system,space group C2/m with a = 20.8390(11),b = 7.2695(3),c = 10.0156(6) A,β = 109.773(7)°,V = 1427.80(13) A^3,Z = 4,D_c = 1.680 mg/cm^-3,M_r = 361.16,F(000) = 740,R = 0.0316 and wR = 0.0826 for 1702 observed reflections(I 〉 2σ(I)). The purple block crystals of complex [Co(L2)(H_2O)]·2H_2O(2) also belong to the monoclinic system,space group C2/c with a = 25.5382(16),b = 7.3844(3),c = 15.1925(11) A,β = 124.238(9)°,V = 2368.6(2) A^3,Z = 8,D_c = 1.969 mg/cm^-3,M_r = 351.12,F(000) = 1432,R = 0.0475,wR = 0.1617 for 2088 observed reflections(I 〉 2σ(I)). Both the nitrogen atoms of tetrazole group and oxygen atoms of phosphonate(phosphonic acid) groups in the ligands coordinated with the metal cobalt. The magnetic property of complex 1 is also investigated.展开更多
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(H2oba) and phthalic acid(H2pht). The ...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(H2oba) and phthalic acid(H2pht). 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)A, 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) A, β = 97.727(2)o, V = 4571.8(8) A3 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.展开更多
A new complex [Zn(4-nph)(bib)](2n)·nH2O(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...A new complex [Zn(4-nph)(bib)](2n)·nH2O(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 A,α = 88.487(3),β = 72.529(3),γ = 79.991(3)°,V = 2009.8(5)A^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.展开更多
With the help of in-situ formed CH_3COO- anion, a pair of 3D homochiral coordination polymers with open channels were constructed by the assembly of lactic acid derivative ligands, 1.4-DIB ligands and Cd(II) ions, n...With the help of in-situ formed CH_3COO- anion, a pair of 3D homochiral coordination polymers with open channels were constructed by the assembly of lactic acid derivative ligands, 1.4-DIB ligands and Cd(II) ions, namely [Cd3((R)-CIA)2(CH3CO2)_2(1.4-DIB)2(H2O)2]·x(Guest)(1-D) and [Cd3((S)-CIA)2(CH3CO2)2(1.4-DIB)2(H2O)2]·x(Guest)(1-L). They contain 1D interesting ladder-like Cd-(R)-CIA(3-) chains and exhibit SHG-active behavior and photoluminescent property.展开更多
A new Cd(Ⅱ) coordination polymer,{[Cd(pda)(bimb)]·(H2O)(0.5)}n(1,H2pda=1,3-phenylenediacetic acid,bimb = 4,4-bis(1-imidazolyl)biphenyl),has been synthesized and characterized by elemental analysis,...A new Cd(Ⅱ) coordination polymer,{[Cd(pda)(bimb)]·(H2O)(0.5)}n(1,H2pda=1,3-phenylenediacetic acid,bimb = 4,4-bis(1-imidazolyl)biphenyl),has been synthesized and characterized by elemental analysis,IR spectroscopy,powder X-ray diffraction(PXRD) analyses and single-crystal X-ray diffraction techniques. Complex 1 shows a 4-connected two-fold interpenetrated three-dimensional(3-D) cds topology. In additional,photoluminescent properties of 1 and its dehydrated product have also been studied.展开更多
Aromatic bond including metallic atom (Ni) is investigated by EHMO calculation.The NMR spectra and the mechanism for hydrolysis are discussed on the ground of results of computation.
The study of various oxidation states of chromium with Sargassum <i>sp</i>. is of particular interest since hexavalent chromium </span><span style="font-size:10.0pt;font-family:""&g...The study of various oxidation states of chromium with Sargassum <i>sp</i>. is of particular interest since hexavalent chromium </span><span style="font-size:10.0pt;font-family:"">is </span><span style="font-size:10.0pt;font-family:"">reduced to trivalent chromium in </span><span style="font-size:10.0pt;font-family:"">an </span><span style="font-size:10.0pt;font-family:"">aqueous solution. In this study, a systematic density functional theory (DFT) calculations were performed to study the interactions of transition metal chromium ion with different oxidation states and spin states with the <i>Sar</i></span><i><span style="font-size:10.0pt;font-family:"">gassum sp</span></i><span style="font-size:10.0pt;font-family:"">. decorated with carboxylate</span><span style="font-size:10.0pt;font-family:""> </span><span style="font-size:10.0pt;font-family:"">(acetate) at the wB97XD/6-311++</span><span style="font-size:10.0pt;font-family:""> </span><span style="font-size:10.0pt;font-family:"">G(d,p)</span><span style="font-size:10.0pt;font-family:""> </span><span style="font-size:10.0pt;font-family:"">level of theory. The structures and binding energies of chromium met<span>al</span></span><span style="font-size:10.0pt;font-family:"">-</span><span style="font-size:10.0pt;font-family:"">carboxylate complexes at various oxidation states and spin states in gas</span><span style="font-size:10.0pt;font-family:""> phase were examined. The coordination strength of Cr(VI) with the acetate <span>ligand was predominantly the strongest compare</span></span><span style="font-size:10.0pt;font-family:"">d</span><span style="font-size:10.0pt;font-family:""> to the other oxidation</span><span style="font-size:10.0pt;font-family:""> states. <span>Vibrational frequency analysis, for the homoleptic monomers of tris</span> <span>[</span><span>Cr<sup>III</sup>(AC)<sub>3</sub>]<sup>0</sup> and </span>[Cr<sup>VI</sup>(AC)<sub>3</sub>]<sup>3+</sup> complexes, illustrate good harmony with the experimental and<span> theoretical calculated frequencies. Using the time</span></span><span style="font-size:10.0pt;font-family:"">-</span><span style="font-size:10.0pt;font-family:"">dependent DFT</span><span style="font-size:10.0pt;font-family:""> (TD-DFT) at the level of CAM-B3LYP/6-311++G(d,p), the vertical excitation energies were obtained. The stabilization energies derived using the second order perturbation </span><span style="font-size:10.0pt;font-family:"">theory, <i>E</i><sub>ij</sub><sup>(2)</sup>, of NBO analysis confirmed the greater charge transfer for the</span><span style="font-size:10.0pt;font-family:""> observed trends in the metal binding. The calculated binding </span><span style="font-size:10.0pt;font-family:"">energies</span><span style="font-size:10.0pt;font-family:""> </span><span style="font-size:10.0pt;font-family:"">(ΔE) and interactions energies </span><span style="font-size:10.0pt;font-family:Symbol;">S</span><i><span style="font-size:10.0pt;font-family:"">E</span></i><sub><span style="font-size:10.0pt;font-family:"">ij</span></sub><sup><span style="font-size:10.0pt;font-family:"">(2)</span></sup><span style="font-size:10.0pt;font-family:""> favor</span><span style="font-size:10.0pt;font-family:""> </span><span style="font-size:10.0pt;font-family:"">the formation of</span><span style="font-size:10.0pt;font-family:""> [Cr<sup>VI</sup>(AC)<sub>3</sub>]<sup>3+</sup> complexes. The findings of this study identify efficient electronic factors as major contributors to the metal binding affinities, with promising possibilities for the design of metal-ligand complexes and sensing of the metal ions.展开更多
Two coordination polymers, {[Cu3(tci)2(DMAc)3].6DMAc-2H2O}n (1[) and {[Cu3(tci)2(tpt)2(H2O)2]- 2DMAc-2H2O}n (2) (H3tci = tris(2-carboxyethyl)isocyanurate, tpt = 2,4,6-tris(4-pyridyl)-l,3,5-triazine,...Two coordination polymers, {[Cu3(tci)2(DMAc)3].6DMAc-2H2O}n (1[) and {[Cu3(tci)2(tpt)2(H2O)2]- 2DMAc-2H2O}n (2) (H3tci = tris(2-carboxyethyl)isocyanurate, tpt = 2,4,6-tris(4-pyridyl)-l,3,5-triazine, DMAc = N,N-dimethylacetamide), have been constructed under solvothermal conditions. Both polymers were structurally characterized by single crystal X-ray diffraction, elemental analyses, IR spectra, thermogravimetric (TG) analyses and powder X-ray diffraction (RXPD). 1 shows a (3,4)-connected 2D layer structure comprising Cu2(CO2)4 paddle-wheel units, which are further bridged by C-H.--O interactions to give a 3D supramolecular network. The introduction oftpt produces different framework for 2 that comprises a dinuclear and a mononuclear Cu(II) building units, which are further bridged together by tci3- and tpt ligands to give a 4-connected 2D topological net. Adjacent 2D layers are packed together via C-H...O interactions and π...π stacking interactions to form a 3D supramolecular structure. In addition, the luminescent properties and the solid-state UV-vis spectra of I and 2 were explored. Furthermore, antiferromagnetic exchange interactions were unveiled in the Cu2(COO)4 units of 1. ~ 2015 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences.展开更多
A new metal-organic framework(MOF) based on metal clusters as secondary building units(SBU),has been synthesized and structurally characterized.The reported MOF presents an interesting 8-connected self-penetrating...A new metal-organic framework(MOF) based on metal clusters as secondary building units(SBU),has been synthesized and structurally characterized.The reported MOF presents an interesting 8-connected self-penetrating coordination network based on dinuclear cadmium cluster with a 4^(24)·5·6~3 topology. Moreover,the thermal stability and luminescence property of this compound have been investigated.展开更多
基金Supported by the National Natural Science Foundation of China(No.21373132)the Science Foundation of Shaanxi University of Technology(No.SLGKY-36)
文摘A new AgO) coordination polymer, {[Ag(1,3-BIP)(H20)][Ag(1,3- BIP)(PMA)0.5.- 4H20}n (PMA = 1,2,4,5-benzenetricarboxylic acid, 1,3-BIP = 1,3-bis(imidazole)propane), have been synthesized and characterized by single-crystal X-ray diffraction, powder XRD, FTIR, TGA and elemental analysis techniques. The single-crystal X-ray diffraction reveals that the title complex is formed by 1D polymeric cationic chains of [Ag(1,3-BIP)(H2O)]n^n+ and 2D polymetric anionic layer of [Ag(1,3-BIP)(PMA)0.5]n^n-, which are further linked by intermolecular H-bonding to form a 3D supramolecular framework. In addition, the photoluminescence property of the title complex in the solid state at room temperature was also investigated.
基金supported by the Natural Science Foundation of Henan Province(132300410326)the Foundation of the Education Department of Henan Province(13A150801 and 14A150040)
文摘The reaction of flexible bis(imidazole) ligand and 1,2-bis(imidazol-l'-yl)methane (bimm) with Co(Ⅱ) salt under ionothermal method resulted in the formation of a new coordination polymer {[Co(bimm)3]·(PF6)2}n (1). X-ray single-crystal diffraction determination reveals that 1 crystallizes in the triclinic Pi space group, with α = 8.647(6), b = 12.092(9), c = 14.967(1 l) A, α = 88.912(8), β = 81.199(8), ), = 89.395(8)°, V= 1546 (2) A3, Z = 2, Mr = 793.39, Dc= 1.704 Mg/m3,μ = 0.768 mm-1 F(000) = 798, the final R = 0.0626 and wR = 0.1634 for 4319 observed reflections with I〉 2σ(I). In compound 1, the Co(lI) ion is connected to another Co(ll) by two bimm ligands to form 1D double chains which are further linked by bimm ligands to form a 2D wavelike layer. Topologically, the structure of 1 represents a uninodal 2D 4-connected sq1/Shubnikov tetragonal plane net. Moreover, thermogravimetric analyses and photocatalytic property for 1 have also been investigated.
基金supported by the Natural Science Foundation of Fujian province(2015J01033)Industry-University Cooperation Key Project of Science and Technology of Fujian Province(2012H6002)
文摘Solvothermal reaction of Pb(NO3)2·6H2O with rigid linear ligand terephthalic acid(H2pta) in N,N-dimethylformamide(DMF) produced a new three-dimensional(3D) lead(Ⅱ)coordination polymer[Pb2(pta)1.5(μ4-OH)(DMF)]n 1,and its structure was characterized by single-crystal X-ray diffraction analyses.In polymer 1,the μ4-OH bridges the nearby lead(Ⅱ) ions into an infinite one-dimensional(1D) chain,and then the organic ligand pta^2- joins the neighbored chains into a 3D structure by two similar connection modes in different configurations.The solid-state photoluminescent studies revealed that 1 exhibits a strong greenish emission mainly originating from ligand-to-metal charge transfer between the delocalized π bonds of the aromatic carboxylate ligand pta^2- and the p orbitals of the Pb^2+ centers.
基金financially supported by the Foundation of Fujian Educational Committee(JA14348)
文摘A novel Dy^(3+) coordination compound,(H_2pipz)(H_3O)[Dy(pydc)_3]·11H_2O(1,pipz = piperazine and H_2pydc = pyridine-2,6-dicarboxylic acid),has been hydrothermally synthesized and characterized by X-ray single-crystal diffraction,elemental analysis. It is interesting that the packing structure of compound 1 contains 22-core water clusters. Compound 1 is extended into a threedimensional supramolecular structure via O···H···O hydrogen bonding interactions. Furthermore,the luminescent property of compound 1 was also investigated.
基金Supported by the National Science Foundation of China(No.20831002 and 21531003)Project of Science and Technology Development of Jilin City(No.20166024)
文摘Using a rigid azo ligand 4-[(8-hydroxy-5-quinolinyl)azo]-benzoic acid(H2 L),a new supramolecular compound [Zn(L)(H2O)2]n(1) has been solvothermally synthesized and structurally characterized by X-ray single-crystal diffraction,infrared spectrum,elemental analysis,power X-ray diffraction and thermal analysis.Compound 1 crystallizes in monoclinic,space group C2/c with a = 30.372(8),b = 11.415(3),c = 9.248(3) A,β = 106.94(3)o,V = 3067.20(15)A3,C(16)H(13)N3O5Zn,Mr = 392.66,Z = 8,Dc = 1.701 Mg/m^3; F(000) = 1600,μ = 1.636 mm^-1,reflections collected:7290,reflections unique:2735,R(int)= 0.0282,R = 0.0351,wR(all data) = 0.0919,GOOF on F^2 = 1.036.Compound 1 exhibits a one-dimensional(1 D) zig-zag chain structure connected into a three-dimensional(3D) supramolecular network through hydrogen bonding interactions.Fluorescent property and electrochemical property were detected on compound 1.
基金Project supported by the Health Commission of Hubei Province of China (No. 2007JX3B02)
文摘An organotin(Ⅳ) complex [(CH3)2Sn(4-FC6H4CONHO)2] has been synthesized and characterized by elemental analysis, IR, ^1H NMR and X-ray single-crystal diffraction techni- ques. The crystal belongs to the orthorhombic system, space group Pbca with a = 9.7565(13), b = 17.664(2), c = 20.784(3)A, Z = 8, V = 3581.9(8)A^3 Dc = 1.695 g/cm^3,μ(MoKa) = 1.469 mm^-1, F(000) = 1808, R = 0.0321 and wR = 0.0838. In the molecular structure of the title complex, the tin atoms are five-coordinated in a trigonal bipyramidal geometry, and the special coordination properties of dimethyltin(Ⅳ) with hydroxamate-type ligands are also discussed.
基金Financially supported by the Natural Science Foundation of Shandong Province(ZR2014BQ035)the National Natural Science Foundation of China(21501086,21671093)+3 种基金the Tai-Shan Scholar Research Fund of Shandong ProvinceLiaocheng University and college students’ innovative training program(201410447009,201410447010)the financial supports from Liaocheng University(318051401)the Scientific Research Foundation for the Returned Overseas Chinese Scholars,State Education Ministry
文摘Two lanthanide coordination polymers, [Eu(HL)(L)(H2O)2]n(1) and [Tb(H0.5L)2]n(2), based on bifunctional 5-(1H-imidazol-1-yl) isophthalic acid(H2L), are hydrothermally synthesized and characterized by both single-crystal and powder X-ray diffraction analyses, and FT-IR. In compound 1, the basic inorganic building unit of the coordination network is the dinuclear [Eu2(COO)6] cluster. Each [Eu2(COO)6] cluster connects four HL^- ligands and each HLligand links two [Eu2(COO)6] clusters, resulting in a 2D coordination layer. The adjacent 2 D layers are further connected via neighboring inter-layer hydrogen bonds to give a 3D supramolecular structure. In compound 2, the Tb^3+ is coordinated to six oxygen atoms. Each Tb^3+ ion connects six ligands and each ligand links three Tb^3+ ions, leading to a 3D coordination polymeric network which exhibits remarkably high thermal stability up to 500℃. Furthermore, due to the successful incorporation of Tb^3+, compound 2 displays characteristic luminescent emission in the solid state at room temperature. The combination of high thermal stability and fluorescent property of compound 2 would make it as a promising light-emitting material.
基金supported by the NSF of Fujian Province(2015J01597)Collegiate Natural Science Fund of Fujian Province(JK2012019)Professor Fund of Fujian Medical University(JS14008)
文摘Two manganese(II) coordination polymers, namely, {[Mn(PIP)(BIBP)]·(BIBP)0.5}n(1) and {[Mn(PTA)(BIMBP)(H2O)]·H2O(0.69)}n(2)(H2PIP = 5-(4-pyridyl)-isophthalic acid, H2 PTA =6-(4-pyridyl)-terephthalic acid, BIBP = 4,4?-bis(imidazol-1-yl)biphenyl, and BIMBP =4,4?-bis(imidazol-1-ylmethyl)biphenyl), have been synthesized by using the bifunctional pyrinde-benzene carboxylic acids and bis(imidazole) linkers as mixed ligands to react with Mn SO4,and further characterized by elemental analysis, IR, and PXRD. Compound 1 is in the triclicnic system, space group P1 with a = 10.1089(8), b = 13.1927(12), c = 14.0638(12)A, α = 69.437(2), β= 73.2890(10), γ = 78.5320(10)o, V = 1671.9(2) A^3, Z = 2, Dc = 1.449 g/cm^3, F(000) = 705,μ(MoK α) = 0.453 mm^-1, S = 1.053, R = 0.0491 and wR = 0.1367 for 5837 unique reflections(Rint =0.0208) with I 〉 2σ(I). Compound 2 belongs to the monoclicnic system, space group C2/c with a =15.199(3), b = 19.731(3), c = 21.537(5) ?, β = 105.228(3)o, V = 6232(2) A^3, Z = 8, Dc = 1.363g/cm^3, F(000) = 2648, μ(MoK α) = 0.475 mm^-1, S = 1.048, R = 0.0489 and wR = 0.1151 for 7414 unique reflections(Rint = 0.0425) with I 〉 2σ(I). Structural analyses reveal that complex 1 is a4-connected(44.62)-sql bilayer structure with binuclear [Mn2(COO)2] SBU, while complex 2 is a normally(3,5)-connected(42.67.8)(42.6)-3,5L2 monolayer. And the sheets interacted with the adjacent sheets through weak interactions, finally giving a stable three-dimensional(3D)supramolecule. Besides, the variable-temperature magnetic susceptibility measurement of complex1 was investigated.
基金Supported by the National Natural Science Foundation of China(21371052)the Scientific Research Fund of Heilongjiang Provincial Education Department(12531512)
文摘Two cobalt coordination polymers with the same 2D structure have been hydrothermally synthesized based on two bifunctional ligands with tetrazole and phosphonate(phosphonic acid) groups,namely,diethyl 4-(2H-1,2,3,4-tetrazol-5-yl) benzylphosphonate(C_2H_5-L1) and 4-(2H-1,2,3,4-tetrazol-5-yl)benzylphosphonic acid(H_2L2). The structures of the two complexes are characterized by elemental analysis,IR,TGA and X-ray single-crystal/powder diffraction. The pink block crystals of complex [Co(L1)(H_2O)]·H_2O(1) belong to the monoclinic system,space group C2/m with a = 20.8390(11),b = 7.2695(3),c = 10.0156(6) A,β = 109.773(7)°,V = 1427.80(13) A^3,Z = 4,D_c = 1.680 mg/cm^-3,M_r = 361.16,F(000) = 740,R = 0.0316 and wR = 0.0826 for 1702 observed reflections(I 〉 2σ(I)). The purple block crystals of complex [Co(L2)(H_2O)]·2H_2O(2) also belong to the monoclinic system,space group C2/c with a = 25.5382(16),b = 7.3844(3),c = 15.1925(11) A,β = 124.238(9)°,V = 2368.6(2) A^3,Z = 8,D_c = 1.969 mg/cm^-3,M_r = 351.12,F(000) = 1432,R = 0.0475,wR = 0.1617 for 2088 observed reflections(I 〉 2σ(I)). Both the nitrogen atoms of tetrazole group and oxygen atoms of phosphonate(phosphonic acid) groups in the ligands coordinated with the metal cobalt. The magnetic property of complex 1 is also investigated.
基金supported by the National Natural Science Foundation of China(No.2137109291022011)+1 种基金National Basic Research Program of China(2010CB923303)the Universities Natural Science Research Project of Anhui Province(No.KJHS2016B10)
文摘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(H2oba) and phthalic acid(H2pht). 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)A, 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) A, β = 97.727(2)o, V = 4571.8(8) A3 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.
基金supported by the Science and Technology Development Project of Jilin Provincial Science&Technology Department(201205080)the Science and Technology Research Projects of the Education Office of Jilin Province(No.2013.384)
文摘A new complex [Zn(4-nph)(bib)](2n)·nH2O(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 A,α = 88.487(3),β = 72.529(3),γ = 79.991(3)°,V = 2009.8(5)A^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.
基金supported by the Natural Science Foundation of Guizhou Province(20122344)125 program of Guizhou Education Department(2012015)the Doctoral Scientific Fund of Zunyi Normal College(2012BSJJ12)
文摘With the help of in-situ formed CH_3COO- anion, a pair of 3D homochiral coordination polymers with open channels were constructed by the assembly of lactic acid derivative ligands, 1.4-DIB ligands and Cd(II) ions, namely [Cd3((R)-CIA)2(CH3CO2)_2(1.4-DIB)2(H2O)2]·x(Guest)(1-D) and [Cd3((S)-CIA)2(CH3CO2)2(1.4-DIB)2(H2O)2]·x(Guest)(1-L). They contain 1D interesting ladder-like Cd-(R)-CIA(3-) chains and exhibit SHG-active behavior and photoluminescent property.
基金supported by the Natural Science Foundation of Yan’an University(YD2014-06)the Natural Scientific Research Foundation of Yan’an City Technology Division(2014ZC-3)the Provincial College Students’Innovation and Entrepreneurship Training Program(1452)
文摘A new Cd(Ⅱ) coordination polymer,{[Cd(pda)(bimb)]·(H2O)(0.5)}n(1,H2pda=1,3-phenylenediacetic acid,bimb = 4,4-bis(1-imidazolyl)biphenyl),has been synthesized and characterized by elemental analysis,IR spectroscopy,powder X-ray diffraction(PXRD) analyses and single-crystal X-ray diffraction techniques. Complex 1 shows a 4-connected two-fold interpenetrated three-dimensional(3-D) cds topology. In additional,photoluminescent properties of 1 and its dehydrated product have also been studied.
文摘Aromatic bond including metallic atom (Ni) is investigated by EHMO calculation.The NMR spectra and the mechanism for hydrolysis are discussed on the ground of results of computation.
文摘The study of various oxidation states of chromium with Sargassum <i>sp</i>. is of particular interest since hexavalent chromium </span><span style="font-size:10.0pt;font-family:"">is </span><span style="font-size:10.0pt;font-family:"">reduced to trivalent chromium in </span><span style="font-size:10.0pt;font-family:"">an </span><span style="font-size:10.0pt;font-family:"">aqueous solution. In this study, a systematic density functional theory (DFT) calculations were performed to study the interactions of transition metal chromium ion with different oxidation states and spin states with the <i>Sar</i></span><i><span style="font-size:10.0pt;font-family:"">gassum sp</span></i><span style="font-size:10.0pt;font-family:"">. decorated with carboxylate</span><span style="font-size:10.0pt;font-family:""> </span><span style="font-size:10.0pt;font-family:"">(acetate) at the wB97XD/6-311++</span><span style="font-size:10.0pt;font-family:""> </span><span style="font-size:10.0pt;font-family:"">G(d,p)</span><span style="font-size:10.0pt;font-family:""> </span><span style="font-size:10.0pt;font-family:"">level of theory. The structures and binding energies of chromium met<span>al</span></span><span style="font-size:10.0pt;font-family:"">-</span><span style="font-size:10.0pt;font-family:"">carboxylate complexes at various oxidation states and spin states in gas</span><span style="font-size:10.0pt;font-family:""> phase were examined. The coordination strength of Cr(VI) with the acetate <span>ligand was predominantly the strongest compare</span></span><span style="font-size:10.0pt;font-family:"">d</span><span style="font-size:10.0pt;font-family:""> to the other oxidation</span><span style="font-size:10.0pt;font-family:""> states. <span>Vibrational frequency analysis, for the homoleptic monomers of tris</span> <span>[</span><span>Cr<sup>III</sup>(AC)<sub>3</sub>]<sup>0</sup> and </span>[Cr<sup>VI</sup>(AC)<sub>3</sub>]<sup>3+</sup> complexes, illustrate good harmony with the experimental and<span> theoretical calculated frequencies. Using the time</span></span><span style="font-size:10.0pt;font-family:"">-</span><span style="font-size:10.0pt;font-family:"">dependent DFT</span><span style="font-size:10.0pt;font-family:""> (TD-DFT) at the level of CAM-B3LYP/6-311++G(d,p), the vertical excitation energies were obtained. The stabilization energies derived using the second order perturbation </span><span style="font-size:10.0pt;font-family:"">theory, <i>E</i><sub>ij</sub><sup>(2)</sup>, of NBO analysis confirmed the greater charge transfer for the</span><span style="font-size:10.0pt;font-family:""> observed trends in the metal binding. The calculated binding </span><span style="font-size:10.0pt;font-family:"">energies</span><span style="font-size:10.0pt;font-family:""> </span><span style="font-size:10.0pt;font-family:"">(ΔE) and interactions energies </span><span style="font-size:10.0pt;font-family:Symbol;">S</span><i><span style="font-size:10.0pt;font-family:"">E</span></i><sub><span style="font-size:10.0pt;font-family:"">ij</span></sub><sup><span style="font-size:10.0pt;font-family:"">(2)</span></sup><span style="font-size:10.0pt;font-family:""> favor</span><span style="font-size:10.0pt;font-family:""> </span><span style="font-size:10.0pt;font-family:"">the formation of</span><span style="font-size:10.0pt;font-family:""> [Cr<sup>VI</sup>(AC)<sub>3</sub>]<sup>3+</sup> complexes. The findings of this study identify efficient electronic factors as major contributors to the metal binding affinities, with promising possibilities for the design of metal-ligand complexes and sensing of the metal ions.
基金supported by the 973 Program of China(No. 2014CB845600)the NSFC(Nos.21421001 and 21290171)MOE Innovation Team(No.IRT13022) of China
文摘Two coordination polymers, {[Cu3(tci)2(DMAc)3].6DMAc-2H2O}n (1[) and {[Cu3(tci)2(tpt)2(H2O)2]- 2DMAc-2H2O}n (2) (H3tci = tris(2-carboxyethyl)isocyanurate, tpt = 2,4,6-tris(4-pyridyl)-l,3,5-triazine, DMAc = N,N-dimethylacetamide), have been constructed under solvothermal conditions. Both polymers were structurally characterized by single crystal X-ray diffraction, elemental analyses, IR spectra, thermogravimetric (TG) analyses and powder X-ray diffraction (RXPD). 1 shows a (3,4)-connected 2D layer structure comprising Cu2(CO2)4 paddle-wheel units, which are further bridged by C-H.--O interactions to give a 3D supramolecular network. The introduction oftpt produces different framework for 2 that comprises a dinuclear and a mononuclear Cu(II) building units, which are further bridged together by tci3- and tpt ligands to give a 4-connected 2D topological net. Adjacent 2D layers are packed together via C-H...O interactions and π...π stacking interactions to form a 3D supramolecular structure. In addition, the luminescent properties and the solid-state UV-vis spectra of I and 2 were explored. Furthermore, antiferromagnetic exchange interactions were unveiled in the Cu2(COO)4 units of 1. ~ 2015 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences.
基金supported by the National Science Foundation of China(No.51073079)the Natural Science Fund of Tianjin,China (No.10JCZDJC22100)the Fundamental Research Funds for the Central Universities
文摘A new metal-organic framework(MOF) based on metal clusters as secondary building units(SBU),has been synthesized and structurally characterized.The reported MOF presents an interesting 8-connected self-penetrating coordination network based on dinuclear cadmium cluster with a 4^(24)·5·6~3 topology. Moreover,the thermal stability and luminescence property of this compound have been investigated.