An unprecedented oxo-centered, trinuclear iron nicotinato cluster, [Fe30o （C6NO2Hs）6（H20）3][Fe（H30）2C16]＇12H20＂6Br （1）, has been prepared via hydrothermal reac- tions and structurally characterized by X-ray ...An unprecedented oxo-centered, trinuclear iron nicotinato cluster, [Fe30o （C6NO2Hs）6（H20）3][Fe（H30）2C16]＇12H20＂6Br （1）, has been prepared via hydrothermal reac- tions and structurally characterized by X-ray diffraction. Compound 1 crystallizes in the R-3c space group of rhombohedral system with a = 21.763（4）, c = 24.361（3） A, V = 9992（3） A3, C36H66Br6C16Fe4N6030, Mr = 1978.51, De. = 11973 g/cms, S = 1.006,/（MoKa） = 4.778 mm-1, F（000） = 5880, Z = 6, R = 0.0591 and wR = 0.1054. The title complex features an isolated structure, based on one discrete [Fe30（C6NO2H5）6（H20）3]7＋ cation, one [Fe（H30）2C16]- anion, twelve lattice water molecules and six isolated bromine anions. These isolated moieties are interconnected via hydrogen bonds to yield a three-dimensional （3-D） supramolecular network. Photoluminescent investigation reveals that the title complex exhibits an emission in the purple region. Theoretical study reveals that the emission is attributed to the metal to ligand charge-transfer （MLCT） interaction.展开更多
A novel viologen（4,4＇bipyridinium）-based complex （CH3-4,4＇-H2bipy）（HgCl4） （1）,in which the CH3-4,4＇-H2bipy （MQ2＋） was generated in situ,has been synthesized via hydrothermal reaction and structurally cha...A novel viologen（4,4＇bipyridinium）-based complex （CH3-4,4＇-H2bipy）（HgCl4） （1）,in which the CH3-4,4＇-H2bipy （MQ2＋） was generated in situ,has been synthesized via hydrothermal reaction and structurally characterized. Complex 1 crystallizes in the space group P21/c of monoclinic system with four formula units in a cell：a = 8.1848（6）,b = 21.809（2）,c = 9.0285（6） ,β = 107.377（1）°,V = 1538.0（2） 3,C11H11Cl4HgN2,Mr = 513.61,Dc = 2.218 g/cm3,S = 1.009,μ（MoKα） = 10.685 mm-1,F（000） = 956,R = 0.0360 and wR = 0.0812. The crystal structure analysis reveals that the title complex features an isolated structure based on a CH3-4,4＇-H2bipy moiety and a mercury atom terminally bound by four chlorine atoms. Photoluminescence investigation reveals a strong emission in blue region,which may originate from π→π＊ charge-transfer interaction of the CH3-4,4＇-H2bipy moiety.展开更多
基金supported by the National Science and Technology Support Program of the Ministry of Science and Technology of China(No.2012BAC11B01)the Open Foundation(No.20130014)of the State Key Laboratory of Structural Chemistry,Fujian Institute of Research on the Structure of Matter,Chinese Academy of Sciences
文摘An unprecedented oxo-centered, trinuclear iron nicotinato cluster, [Fe30o （C6NO2Hs）6（H20）3][Fe（H30）2C16]＇12H20＂6Br （1）, has been prepared via hydrothermal reac- tions and structurally characterized by X-ray diffraction. Compound 1 crystallizes in the R-3c space group of rhombohedral system with a = 21.763（4）, c = 24.361（3） A, V = 9992（3） A3, C36H66Br6C16Fe4N6030, Mr = 1978.51, De. = 11973 g/cms, S = 1.006,/（MoKa） = 4.778 mm-1, F（000） = 5880, Z = 6, R = 0.0591 and wR = 0.1054. The title complex features an isolated structure, based on one discrete [Fe30（C6NO2H5）6（H20）3]7＋ cation, one [Fe（H30）2C16]- anion, twelve lattice water molecules and six isolated bromine anions. These isolated moieties are interconnected via hydrogen bonds to yield a three-dimensional （3-D） supramolecular network. Photoluminescent investigation reveals that the title complex exhibits an emission in the purple region. Theoretical study reveals that the emission is attributed to the metal to ligand charge-transfer （MLCT） interaction.
基金supported by the NSF of Jiangxi Province (200007GQH1685)the Science and Technology Project of Jiangxi Provincial Department of Education (GJJ08412)
文摘A novel viologen（4,4＇bipyridinium）-based complex （CH3-4,4＇-H2bipy）（HgCl4） （1）,in which the CH3-4,4＇-H2bipy （MQ2＋） was generated in situ,has been synthesized via hydrothermal reaction and structurally characterized. Complex 1 crystallizes in the space group P21/c of monoclinic system with four formula units in a cell：a = 8.1848（6）,b = 21.809（2）,c = 9.0285（6） ,β = 107.377（1）°,V = 1538.0（2） 3,C11H11Cl4HgN2,Mr = 513.61,Dc = 2.218 g/cm3,S = 1.009,μ（MoKα） = 10.685 mm-1,F（000） = 956,R = 0.0360 and wR = 0.0812. The crystal structure analysis reveals that the title complex features an isolated structure based on a CH3-4,4＇-H2bipy moiety and a mercury atom terminally bound by four chlorine atoms. Photoluminescence investigation reveals a strong emission in blue region,which may originate from π→π＊ charge-transfer interaction of the CH3-4,4＇-H2bipy moiety.
