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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

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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摘要 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. 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.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2017年第4期647-653,共7页 结构化学(英文)
基金 supported by the Guangxi Provincial Department of Education(No.KY2015ZD130,YB2014414) the Natural Science Foundation of Guangxi Province(No.2014GXNSFBA118040) The supports of the National Natural Science Foundation of China(No.51402158)are gratefully acknowledged the financial support by the Opening Project of Guangxi Colleges and Universities Key Laboratory of Beibu Gulf Oil and Natural Gas Resource Effective Utilization(No.2015KLOG09) the financial support from the Natural Science Foundation of Qinzhou University(No.2014PY-GJ05)
关键词 photo-electric property nickel(Ⅱ) complex 1 4-bis(imidazol-1-yl)benzene synthesis crystal structure photo-electric property nickel(Ⅱ) complex 1,4-bis(imidazol-1-yl)benzene synthesis crystal structure
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