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Hydrothermal Synthesis, Crystal Structure and Surface Photo-electric Properties of a New Nickel(Ⅱ) 3-D Metalorganic Framework Constructed from the Rigid 1,4-Bis(imidazol-1-yl) benzene Ligand
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作者 王爱荣 李家明 +2 位作者 史忠丰 何坤欢 高健 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2017年第4期647-653,共7页
A new 3-D nickel(Ⅱ) metal-organic framework(MOFs) with formula [Ni(bib)_2(SO_4)]_n(1), where bib = 1,4-bis(imidazol-1-yl)benzene, has been synthesized and characterized by single-crystal X-ray diffraction... A new 3-D nickel(Ⅱ) metal-organic framework(MOFs) with formula [Ni(bib)_2(SO_4)]_n(1), where bib = 1,4-bis(imidazol-1-yl)benzene, has been synthesized and characterized by single-crystal X-ray diffraction, IR spectroscopy, elemental analysis and surface photovoltage spectroscopy(SPS). Complex 1 crystallizes in monoclinic system, space group C2/c with a = 19.5988(6), b = 9.7531(3), c = 11.8146(4) ?, β = 96.185(3)°, V = 2245.20(12) ?~3, C_(24)H_(20)N_8NiO_4S, M_r = 575.25, D_c = 1.702 g/cm^3, Z = 4, F(000) = 1184, μ = 1.011 mm-1, the final R = 0.0293 and w R = 0.0702. X-ray diffraction analyses indicated that the center Ni^(2+) ion is six-coordinated with an O_2N_4 donor set of two μ_2-SO_4^(2–) and four bib ligands, resulting in an ideal octahedral geometry. Topological analysis on complex 1 considers each Ni^(2+) as a 6-connected node, while bib and sulfate ion as linkers, giving an α-Po topology with short Schl?fli symbol 412·63. In the crystal packing, the components interact with pairs of intermolecular C–H×××O hydrogen bonds. The SPS of 1 indicates that there are positive response bands in the range of 300~600 nm showing photo-electric conversion properties. 展开更多
关键词 photo-electric property nickel(Ⅱ) complex 1 4-bis(imidazol-1-yl)benzene synthesis crystal structure
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Synthesis,Crystal Structure,and Magnetic Property of One 3D Nickel Coordination Polymer Based on 2-Hydroxy-5-(3',5'-terephthalic acid)Pyridine and 1,4-Bis(1-imdazoly)benzene 被引量:1
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作者 TANG Pei-Qin HAO Lu-Jiang +3 位作者 FAN Li-Ming LIU Xin-Zheng LI Bin ZHANG Xiu-Tang 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第10期1519-1524,共6页
One novel nickel coordination polymer, {[Ni(OTP)(bib)1.5(H2O)]·2H2O}n(1, H2 OTP = 2-hydroxy-5-(3',5'-terephthalic acid) pyridine, bib = 1,4-bis(1-imdazoly)benzene), has been synthesized and characte... One novel nickel coordination polymer, {[Ni(OTP)(bib)1.5(H2O)]·2H2O}n(1, H2 OTP = 2-hydroxy-5-(3',5'-terephthalic acid) pyridine, bib = 1,4-bis(1-imdazoly)benzene), has been synthesized and characterized by elemental analysis(EA), IR, powder X-ray diffraction(PXRD), and thermogravimetric(TG) analyses. The crystal of 1 crystallizes in monoclinic, space group P21/n with a = 12.2860(5), b = 13.8246(6), c = 19.0140(8) A, β = 104.3870(1)°, V = 3128.2(2) A3, Z = 4, C32H28N7 Ni O8, Mr = 697.32, Dc = 1.481 g/cm^3, F(000) = 1444 and μ(Mo Kα) = 0.684 mm-1. The final R = 0.0704 and w R = 0.1764 for 5485 observed reflections with I 2σ(I) and R = 0.1087 and wR = 0.2010 for all data. Topology analysis reveals that complex 1 is a 3D 2-fold interpenetrated {4^4·6^6}-nov net based on the 1D [Ni(OTP)]n chain and the 2D [Ni2(bib)3]n sql sheet. And the variable-temperature magnetic susceptibility measurements exhibit weak antiferromagnetic coupling interaction. 展开更多
关键词 2-hydroxy-5-(3' 5'-terephthalic acid)pyridine 1 4-bis(1-imdazoly)benzene NICKEL topology magnetic property
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Synthesis,Crystal Structure and Theoretical Calculations of a Cadmium Complex Containing 3-Hydroxybenzoic Acid and 1,4-Bis(imidazol-1-yl)-butane 被引量:2
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作者 王志涛 王少杰 +1 位作者 李秀梅 潘亚茹 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2018年第3期467-474,共8页
A new complex [Cd(hba)2(bib)]n·nH2O(1,Hhba = 3-hydroxybenzoic acid,bib = 1,4-bis(imidazol-1-yl)-butane) has been hydrothermally synthesized and characterized by elemental analysis,IR spectrum,thermogravim... A new complex [Cd(hba)2(bib)]n·nH2O(1,Hhba = 3-hydroxybenzoic acid,bib = 1,4-bis(imidazol-1-yl)-butane) has been hydrothermally synthesized and characterized by elemental analysis,IR spectrum,thermogravimetric analysis,fluorescence spectrum,and singlecrystal X-ray diffraction.Yellow crystal crystallizes in the orthorhombic system,space group Pbca with a = 16.220(5),b = 14.980(5),c = 20.521(5) ?,V = 4986(3) ?~3,C(24)H(26)CdN4O7,Mr = 594.89,Dc = 1.585 g/cm^3,μ(Mo Kα) = 0.927 mm^(-1),F(000) = 2416,Z = 8,the final R = 0.0242 and w R = 0.0589 for 4076 observed reflections(I 〉 2s(I)).In 1,the Cd(Ⅱ) ion takes a six-coordination mode,and bib ligand bridges adjacent Cd(Ⅱ) ions to generate 1D zigzag chains; these neighboring chains are connected by O–H···O hydrogen bonding interactions,producing a 2D folded layered structure.Furthermore,by O–H···O hydrogen bonding between layers and layers,a 3D supramolecular architecture is formed.In addition,we analyzed Natural Bond Orbital(NBO) in using the PBE0/LANL2 DZ method built in Gaussian 03 Program.The calculation results indicated obvious covalent interaction between the coordinated atoms and Cd(Ⅱ) ion. 展开更多
关键词 crystal structure Cd(Ⅱ) complex 3-hydroxybenzoic acid 1 4-bis(imidazol-1-yl)-butane natural bond orbital
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Syntheses, Crystal Structures, and Properties of Two Mixed-ligand Coordination Polymers: [Zn(bdc)(1,3-bimb)]_n and {[Mn_2(ox)_2(1,3,5-tib)_(4/3)]·4H_2O}_n 被引量:2
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作者 石聪文 高燕 +4 位作者 柳若芍 范黎明 张伟 丁元帅 张修堂 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2013年第9期1422-1430,共9页
Two new coordination polymers,[Zn(bdc)(1,3-bimb)]n(1) and {[Mn2(ox)2(1,3,5tib)4/3]·4H2O}n(2)(H2ox = oxalic acid,H2bdc = terephthalic acid,1,3-bimb = 1,3-bis(imidazol-1ylmethyl)benzene,1,3,5-tib = 1... Two new coordination polymers,[Zn(bdc)(1,3-bimb)]n(1) and {[Mn2(ox)2(1,3,5tib)4/3]·4H2O}n(2)(H2ox = oxalic acid,H2bdc = terephthalic acid,1,3-bimb = 1,3-bis(imidazol-1ylmethyl)benzene,1,3,5-tib = 1,3,5-tri(imidazol-1-yl)benzene),were synthesized and characterized by elemental analysis,IR,powder X-ray diffraction(PXRD),and thermogravimetric(TG) analyses.X-ray diffracation analysis reveals that two kinds of zigzag chains [Zn(bdc)]n and [Zn(1,3-bimb)]n in compound 1 are interweaved to form a 3D 4-fold interpenetrated 66-dia framework.In compound 2,Mn(1) and Mn(2) are linked via 1,3,5-tib ligands to form two different nets of [Mn6(1,3,5-tib)6 ]n along the ab plane with inner-or outer-shape N–Mn–N angles,which are connected by 1D infinite [Mn2(ox)2 ]n chains via Mn–O bonds to result in a(3,3,3,4,4)-connected(4·8·10)3(4·82)3(4·83·102)6(82·104·3)3(83)4 topology.Moreover,the photoluminescence of 1 has been investigated.The crystal of 1 crystallizes in orthorhombic,space group Pna2 with a = 13.2267(6),b = 9.1717(4),c = 17.4492(8),V = 2116.79(16)3,Z = 4,C22 H18N4O4 Zn,Mr = 467.77,Dc = 1.468 g/cm3,F(000) = 960 and μ(MoKα) = 1.197 mm-1.The final R = 0.0280 and wR = 0.0618 for 3695 observed reflections with I 2(I) and R = 0.0389 and wR = 0.0653 for all data.The crystal of 2 crystallizes in rhombohedral,space group R-3 with a = 22.080(8),c = 31.19(2),V = 13167(11) 3,Z = 18,C24 H25 Mn2 N8 O13,Mr = 743.40,Dc = 1.688 g/cm3,F(000) = 6822 and μ(MoKα) = 0.945 mm-1.The final R = 0.0429 and wR = 0.1035 for 5160 observed reflections with I 2(I) and R = 0.0824 and wR = 0.1244 for all data. 展开更多
关键词 terephthalic acid oxalic acid 1 3-bis(imidazol-1-ylmethyl)benzene 1 3 5-tri(imidazol-1-yl)benzene luminescence
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A Zn(Ⅱ) Coordination Polymer Based on a Flexible Polycarboxylate Ligand 5-(4-Hydroxypyridinium-1-ylmethyl)-isophthalic Acid: Synthesis, Structure, and Property 被引量:1
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作者 李付安 杨维春 李青彬 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2018年第4期645-652,共8页
A Zn(Ⅱ) supramolecular coordination polymer, {[Zn2(L)2(m-bix)(H20)]6H2O}n(1), with an interesting 1D→2D polythreading array from a flexible and angular organic aromaticpolycarboxylate ligand 5-(4-hydroxyp... A Zn(Ⅱ) supramolecular coordination polymer, {[Zn2(L)2(m-bix)(H20)]6H2O}n(1), with an interesting 1D→2D polythreading array from a flexible and angular organic aromaticpolycarboxylate ligand 5-(4-hydroxypyridinium-l-ylmethyl)isophthalic acid (H2L), and N-donorligand 1,3-bis(imidazol-l-ylmethyl)benzene (m-bix), has been obtained under hydrothermalconditions and characterized by elemental analysis, powder X-ray diffraction (PXRD), IR, thermalgravimetric analyses (TGA) and single-crystal X-ray diffraction. In 1, the Zn(Ⅱ) center has twocoordination geometries. One exhibits a trigonal bipyramidal coordination sphere, and the other isa tetrahedral geometry; L2- has two different coordination modes, with one connecting three Zn(Ⅱ)ions through two monodentate carboxylate groups and the monodentate hydroxyl group, and theother bridging two Zn(Ⅱ) ions through two carboxylate groups. The L2- anions connect the Zn(Ⅱ)centers forming an infinite 1D tubular structure. These 1D tubes are interconnected by the m-bixspacers to form a 2D framework. Such 2D layers are further assembled into a 3D supramolecularnetwork via hydrogen bonds. Meanwhile, the luminescent property of 1 has also been investigatedin detail. 展开更多
关键词 5-(4-hydroxypyridinium-1-ylmethyl)isophthalic acid 1 3-bis(imidazol-1-ylmethyl)benzene ZINC PXRD 1D→2D polythreading array
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Hydrothermal Synthesis and Crystal Structure of One 3D Coordination Polymer of Nickel(Ⅱ) Achieved from 5-Iodo-isophthalic Acid Ligand 被引量:3
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作者 梅崇珍 王海荣 +3 位作者 熊翰林 孟瑞静 单雯雯 李海华 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2014年第4期563-568,共6页
A new coordination polymer [Ni(L)(m-bix)(H2O)]n (1, H2L = 5-iodo-isophthalic acid, m-bix=1,3-bis(imidazol-1-ylmethyl)-benzene) has been synthesized by the hydrothermal method and characterized by IR, element... A new coordination polymer [Ni(L)(m-bix)(H2O)]n (1, H2L = 5-iodo-isophthalic acid, m-bix=1,3-bis(imidazol-1-ylmethyl)-benzene) has been synthesized by the hydrothermal method and characterized by IR, elemental analysis, powder XRD and single-crystal X-ray analysis. The crystal is of triclinic, space group Pī with a = 9.1638(3), b = 10.2319(3), c = 13.2463(4) ?, α = 80.1710(10), β = 83.671(2), γ = 70.3790(10)o,C22H19NiIN4O5, Mr = 605.02, V = 1150.85(6) ?3, Dc = 1.746 g/cm3, F(000) = 600, μ = 2.225 mm-1, S = 1.045 and Z = 2. The final R = 0.0388 and wR = 0.1257 for 5089 observed reflections with I 〉 2σ(I). In the title complex, the M and P layers are arranged alternately to give a double-layer structure by the symmetry related hydrogen bonds, and these double-layers are further joined together to achieve a 2D supramolecular architecture through I···π interaction involving iodine atoms and imidazole rings. The thermal stability of the title complex was studied by thermal gravimetric (TG) and differential thermal analysis (DTA). 展开更多
关键词 nickel(II) 5-iodo-isophthalic acid 1 3-bis(imidazol-1-ylmethyl)-benzene I···π interaction coordination polymer
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