Two new 2D coordination polymers, [Zn（HL）（Hbpp）]n （1） mid [Cd（HL）（Hbpp）（H2O）]n （2） （H4L = 1,3-di（2,4-dicarboxyphenyl） benzene, bpp = 1,3-di（4-pyridyl）propane）, have been hydrothermally synthesized ...Two new 2D coordination polymers, [Zn（HL）（Hbpp）]n （1） mid [Cd（HL）（Hbpp）（H2O）]n （2） （H4L = 1,3-di（2,4-dicarboxyphenyl） benzene, bpp = 1,3-di（4-pyridyl）propane）, have been hydrothermally synthesized and characterized by single-crystal X-ray diffraction analysis, elemental analysis, TGA and 1R spectroscopy. Complex 1 crystallizes in monoclinic, space group P21/n, with a = 13.1031（6）, b = 14.7315（7）, c = 15.0041（7） A, β = 91.202（1）°, V= 2895.6（2） A3, Dc = 1.532 g/cm3, Mr = 667.97, F（000） = 1376.0, μ = 0.909 mm-1, Z = 4, the final R = 0.0481 and wR = 0.1304 for 7027 observed reflections with 1 〉 2a（/）. Complex 2 also belongs to the monoclinic space group P2Jn, with a = 13.6326（4）, b = 14.6432（4）, c = 14.9395（5）A, β = 93.132（1）°, V= 2977.84（16） A3, D, = 1.613 g/cm3, ）14,. = 1445.98, F（000） = 733.0,/1 = 0.794 mm-1, Z = 2, the final R = 0.0283 and wR = 0.0784 for 7230 observed reflections with I 〉 2σ（I）. Both complexes 1 and 2 form 2D net structures, which are further linked to form 3D supramolecular net structures via intermolecular hydrogen bonds and aromatic π-π stacking interactions.展开更多
The title complex,[（BBI）Mn（BDC）]n 1（BBI = 2,2＇-bisbenzimidazole（C14H10N4）,BDC=benzene-1,3-dicarboxylate dianion（C8H10O4））,crystallizes in the monoclinic system,space group C2/c,with a=17.822（8）,b=16.181（...The title complex,[（BBI）Mn（BDC）]n 1（BBI = 2,2＇-bisbenzimidazole（C14H10N4）,BDC=benzene-1,3-dicarboxylate dianion（C8H10O4））,crystallizes in the monoclinic system,space group C2/c,with a=17.822（8）,b=16.181（7）,c=13.355（6）A,β=92.112（5）°,V=3848.67（304）A^3,Z=8,C22H14MnN4O4,Mr=453.31,Dc=1.565 g/cm^3,F（000）=1848,μ=0.725 mm^-1,S=1.000,the final R=0.0310 and wR=0.0589.1 contains hydrogen bonds and π-π stacking interactions between the neighboring aryl-ring of BBI＇s,which helps to form a three-dimensional crystal structure.展开更多
A novel metal-organic coordination polymer [Co（m-BDC）（Medpq）·2H2O]n（m-H2BDC = benzene-1,3-dicarboxyalic acid,Medpq = 2-methyldipyrido[3,2-f：2＇,3＇-h]quinoxaline） has been hydrothermally synthesized and st...A novel metal-organic coordination polymer [Co（m-BDC）（Medpq）·2H2O]n（m-H2BDC = benzene-1,3-dicarboxyalic acid,Medpq = 2-methyldipyrido[3,2-f：2＇,3＇-h]quinoxaline） has been hydrothermally synthesized and structurally characterized by elemental analysis,IR spectrum and single-crystal X-ray diffraction.The title compound crystallizes in monoclinic,space group C2/c with a = 19.986（4）,b = 15.789（3）,c = 16.292（3）（A°）,β = 126.54（3）°,V = 4130.3（14）（A°）^3,C23H18N4O6Co,Mr = 505.34,Dc = 1.625 g·cm^-3,Z = 8,μ = 0.883 mm^-1,F（000） = 2072,the final R = 0.0772 and wR = 0.1428.The crystal structure of complex 1 is an infinite zigzag-like chain of hexacoordinate Co^3＋ ions,in which the Co^3＋ ions are bridged in two coordination modes by m-BDC^2＋ ligands and decorated by Medpq ligands,showing a slightly distorted octahedral geometry.Additionally,the compound shows strong fluorescence in the solid state at room temperature.Natural bond orbital（NBO） analysis is performed by using the NBO method built in Gaussian 03 Program.The calculation results show a covalent interaction between the coordinated atoms and Co^3＋ ions.展开更多
A new three-dimensional（3D） chiral metal-organic coordination polymer, [Zn（dpb）（hfipbb）]n, was obtained under hydrothermal conditions by 1,3-di（pyridineyl）benzene（dpb） and 4,4-（Hexafluoroisopropylidene）bis...A new three-dimensional（3D） chiral metal-organic coordination polymer, [Zn（dpb）（hfipbb）]n, was obtained under hydrothermal conditions by 1,3-di（pyridineyl）benzene（dpb） and 4,4-（Hexafluoroisopropylidene）bis（benzoic acid）（H2hfipbb）. The as-prepared sample was characterized by single-crystal X-ray diffraction, PXRD, elemental analysis, IR spectroscopy and TGA analysis. The title coordination polymer crystallizes in orthorhombic, space group P21212, with a=21.923（4）, b=23.594（4）, c=7.3042（13） , V=3778.1（12） 3, Dc=1.209 g/cm3, Mr=687.90, F（000）=1328, μ=0.713 mm（-1） and Z=4. The compound contains two types of helical chains [Zn（hfipbb）]n and [Zn（dpb）]n which are linked with each other to generate a 3D framework by sharing the same Zn（Ⅱ） cations. It displays a 4-fold interpenetrated 3D framework. In addition, the luminescence, fluorescence lifetime and the second harmonic generation（SHG） efficiency properties in the solid state have been studied.展开更多
基金Supported by the National Natural Science Foundation of China(No.21373178)the Open Foundation of Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education(338080043)the Natural Scientific Research Foundation of Shaanxi Provincial Education Office of China(No.13JS124)
文摘Two new 2D coordination polymers, [Zn（HL）（Hbpp）]n （1） mid [Cd（HL）（Hbpp）（H2O）]n （2） （H4L = 1,3-di（2,4-dicarboxyphenyl） benzene, bpp = 1,3-di（4-pyridyl）propane）, have been hydrothermally synthesized and characterized by single-crystal X-ray diffraction analysis, elemental analysis, TGA and 1R spectroscopy. Complex 1 crystallizes in monoclinic, space group P21/n, with a = 13.1031（6）, b = 14.7315（7）, c = 15.0041（7） A, β = 91.202（1）°, V= 2895.6（2） A3, Dc = 1.532 g/cm3, Mr = 667.97, F（000） = 1376.0, μ = 0.909 mm-1, Z = 4, the final R = 0.0481 and wR = 0.1304 for 7027 observed reflections with 1 〉 2a（/）. Complex 2 also belongs to the monoclinic space group P2Jn, with a = 13.6326（4）, b = 14.6432（4）, c = 14.9395（5）A, β = 93.132（1）°, V= 2977.84（16） A3, D, = 1.613 g/cm3, ）14,. = 1445.98, F（000） = 733.0,/1 = 0.794 mm-1, Z = 2, the final R = 0.0283 and wR = 0.0784 for 7230 observed reflections with I 〉 2σ（I）. Both complexes 1 and 2 form 2D net structures, which are further linked to form 3D supramolecular net structures via intermolecular hydrogen bonds and aromatic π-π stacking interactions.
文摘The title complex,[（BBI）Mn（BDC）]n 1（BBI = 2,2＇-bisbenzimidazole（C14H10N4）,BDC=benzene-1,3-dicarboxylate dianion（C8H10O4））,crystallizes in the monoclinic system,space group C2/c,with a=17.822（8）,b=16.181（7）,c=13.355（6）A,β=92.112（5）°,V=3848.67（304）A^3,Z=8,C22H14MnN4O4,Mr=453.31,Dc=1.565 g/cm^3,F（000）=1848,μ=0.725 mm^-1,S=1.000,the final R=0.0310 and wR=0.0589.1 contains hydrogen bonds and π-π stacking interactions between the neighboring aryl-ring of BBI＇s,which helps to form a three-dimensional crystal structure.
基金Supported by the Research Fund for the Doctoral Innovative Program of Jiangsu Province (No. CXLX11_0581)
文摘A novel metal-organic coordination polymer [Co（m-BDC）（Medpq）·2H2O]n（m-H2BDC = benzene-1,3-dicarboxyalic acid,Medpq = 2-methyldipyrido[3,2-f：2＇,3＇-h]quinoxaline） has been hydrothermally synthesized and structurally characterized by elemental analysis,IR spectrum and single-crystal X-ray diffraction.The title compound crystallizes in monoclinic,space group C2/c with a = 19.986（4）,b = 15.789（3）,c = 16.292（3）（A°）,β = 126.54（3）°,V = 4130.3（14）（A°）^3,C23H18N4O6Co,Mr = 505.34,Dc = 1.625 g·cm^-3,Z = 8,μ = 0.883 mm^-1,F（000） = 2072,the final R = 0.0772 and wR = 0.1428.The crystal structure of complex 1 is an infinite zigzag-like chain of hexacoordinate Co^3＋ ions,in which the Co^3＋ ions are bridged in two coordination modes by m-BDC^2＋ ligands and decorated by Medpq ligands,showing a slightly distorted octahedral geometry.Additionally,the compound shows strong fluorescence in the solid state at room temperature.Natural bond orbital（NBO） analysis is performed by using the NBO method built in Gaussian 03 Program.The calculation results show a covalent interaction between the coordinated atoms and Co^3＋ ions.
基金supported by the National Natural Science Foundation of China(No.21501002)China Postdoctoral Science Foundation Funded Project(2016M592031)+1 种基金Open Fund of State Key Laboratory of Coordination Chemistry(SKLCC1604)Young and Middle-aged Academic Backbone Training Project of Anhui University of Science and Technology
文摘A new three-dimensional（3D） chiral metal-organic coordination polymer, [Zn（dpb）（hfipbb）]n, was obtained under hydrothermal conditions by 1,3-di（pyridineyl）benzene（dpb） and 4,4-（Hexafluoroisopropylidene）bis（benzoic acid）（H2hfipbb）. The as-prepared sample was characterized by single-crystal X-ray diffraction, PXRD, elemental analysis, IR spectroscopy and TGA analysis. The title coordination polymer crystallizes in orthorhombic, space group P21212, with a=21.923（4）, b=23.594（4）, c=7.3042（13） , V=3778.1（12） 3, Dc=1.209 g/cm3, Mr=687.90, F（000）=1328, μ=0.713 mm（-1） and Z=4. The compound contains two types of helical chains [Zn（hfipbb）]n and [Zn（dpb）]n which are linked with each other to generate a 3D framework by sharing the same Zn（Ⅱ） cations. It displays a 4-fold interpenetrated 3D framework. In addition, the luminescence, fluorescence lifetime and the second harmonic generation（SHG） efficiency properties in the solid state have been studied.
