The complexes of four ferrocenylaldehyde aroylhydrazones with lead(Ⅱ) were synthesized and characterized. Their compositions, bonding forms and properties were researched by means of elemental analysis, IR, UV Vis,...The complexes of four ferrocenylaldehyde aroylhydrazones with lead(Ⅱ) were synthesized and characterized. Their compositions, bonding forms and properties were researched by means of elemental analysis, IR, UV Vis, 1H NMR spectra, thermal analysis and molar conductance. The free ligands which existed in the keto form coordinated to lead(Ⅱ) in the enol form to form neutral complexes. The molar ratio of the ligand to lead(Ⅱ) is 2∶1 and the thermal stability of the complex is higher than that of the corresponding ligand because of the formation of the stable chelate ring. The ligands and the complexes are all non electrolytes.展开更多
A two-dimensional coordination polymer, [Pb（bmzbc）2]n（1）（Hbmzbc =4-benzimidazole-1-yl-benzoic acid）, has been synthesized by the solvothermal reaction of Pb（NO3）2 with Hbmzbc at 120 ℃ in ethanol solvent. Comp...A two-dimensional coordination polymer, [Pb（bmzbc）2]n（1）（Hbmzbc =4-benzimidazole-1-yl-benzoic acid）, has been synthesized by the solvothermal reaction of Pb（NO3）2 with Hbmzbc at 120 ℃ in ethanol solvent. Compound 1 has been characterized by single-crystal X-ray diffraction, powder X-ray diffraction, thermogravimetry analysis, and IR spectrum. Compound 1 crystallizes in the orthorhombic system, space group Pccn, with a = 12.5801（7）, b = 20.0795（11）, c = 9.1830（6） ？, V = 2319.6（2） A^3, Z = 4, C（28）H（18）N4O4Pb, Mr = 681.65, Dc = 1.952 g/cm^3, μ = 7.319 mm^-1, F（000） = 1312, the final R = 0.0336 and wR = 0.0965 for 1699 observed reflection with I 〉 2σ（I）. In 1, the bmzbc^– ligands bridge the Pb（Ⅱ） ions to generate a 2-D sheet with（4, 4） topology. The complex exhibits turquoise photoluminescent emission with a maximum at 480 nm upon excitation at 300 nm.展开更多
One new three-dimensional polymeric PbⅡ complex,[Pb3(CTA)2(H2 O)2]n·nH2O(1),(H3 CTA = cis,cis-1,3,5-cyclohexanetricarboxylic acid), has been synthesized. Single-crystal X-ray diffraction analyses reveal that com...One new three-dimensional polymeric PbⅡ complex,[Pb3(CTA)2(H2 O)2]n·nH2O(1),(H3 CTA = cis,cis-1,3,5-cyclohexanetricarboxylic acid), has been synthesized. Single-crystal X-ray diffraction analyses reveal that complex 1 has a three-dimensional architecture consisting of Pb2O2 dimeric building units, which shows two types of PbⅡ centers(eight-coordinated Pb(1),six-coordinated Pb(2) and Pb(3)). The eight-coordinated Pb(1) center possesses a stereochemically ‘inactive’ electron lone pair, and the coordination sphere is holodirected. However, the arrangement of oxygen atoms around Pb(2) and Pb(3) suggests a gap or hole in the coordination geometry. The stereo-chemically ‘active’ electron lone pairs of Pb(2) and Pb(3) possibly occupy these ‘holes’ and their coordination spheres are hemidirected. Its properties have been determined by FT-IR spectra, elemental analyses and thermogravimetric analyses(TGA). Solid-state luminescent properties of 1 also have been determined, indicating strong fluorescent emissions.展开更多
The title compound of isonicotinato lead（Ⅱ） [Pb（C5H4NCOO）2] has been optimized at B3LYP/LANL2DZ level of theory and calculated results show that the lead（Ⅱ） ion adopts 4-coordinate geometry. Atomic charge dist...The title compound of isonicotinato lead（Ⅱ） [Pb（C5H4NCOO）2] has been optimized at B3LYP/LANL2DZ level of theory and calculated results show that the lead（Ⅱ） ion adopts 4-coordinate geometry. Atomic charge distributions indicate that during forming the title compound, each isonicotinic acid ion transfers -0.452 e to lead（Ⅱ） ion. The electronic spectra calculations show that there exist two absorption bands and the electronic transitions are mainly derived from the contribution of intraligand π→π^＊ transition and ligand-to-metal charge transfer （LMCT） transition. The thermodynamic properties of the title compound at different temperatures have been calculated and corresponding relations between property and temperature have also been obtained. The calculation of the second order optical nonlinearity was carried out, and the molecular hyperpolarizability was 3.62365^＊10^-30 esu.展开更多
The coordination compound of [Pb（PNS）（NO3）Cl]·H2O was synthesized by using ligand PNS and lead nitrate.The molecular structure of [Pb（PNS）（NO3）Cl]·H2O was determined by using a single crystal diffrac...The coordination compound of [Pb（PNS）（NO3）Cl]·H2O was synthesized by using ligand PNS and lead nitrate.The molecular structure of [Pb（PNS）（NO3）Cl]·H2O was determined by using a single crystal diffraction analysis.The crystal belongs to triclinic with space group P1-.The unit cell parameters are as follows:a=0.7634（3）nm,b=0.7794（3）nm,c=1.0679（5）nm,d=102.087（13）°,β=91.605（13）°,（γ=91.605（10）°,V=0.6262（5）nm3,Z=2,Mr=2.582g/cm3）,μ=13.709mm-1,F（000）=452,R1=0.0355,wR2=0.0785 for the title complex.In [Pb（PNS）（NO3）Cl]·H2O,the Pb（Ⅱ） ion has a distorted square pyramided coordination geometry coordinated by two N and one O atoms from PNS,one Cl-ion and one 0 atom from nitrate ion.展开更多
The title compound was prepared by the solid state reaction of stoichiometric amounts of CdCl2·H2O and 4 nitroaniline . The crystal used for X ray analysis was obtained by slow evaporation of an ethanol aqueous s...The title compound was prepared by the solid state reaction of stoichiometric amounts of CdCl2·H2O and 4 nitroaniline . The crystal used for X ray analysis was obtained by slow evaporation of an ethanol aqueous solution of the solid state reaction at room temperature. The structure of compound was characterized by X ray diffraction analysis. The crystal belongs to orthorhombic, space group Pbca, a=0.77864(7)nm,b=0.72547(6)nm,c=3.3126(2)nm,Z=4,V=1.8712(3)nm3,Dc=1.890g·cm-3,μ=1.763mm-1,F(000)=1048,R=0.0300,wR=0.0697. The title compound is a typical two dimensional organic intercalated compound. The inorganic layers of the compound are formed by CdCl6 octahedra sharing corner Cl atoms (i.e. catena poly[dihlorocadmium di μ chloro]). The organic ammonium cations are intercalated between every two metal halogen layers and formed the organic layers of the compound through hydrogen bonding.展开更多
文摘The complexes of four ferrocenylaldehyde aroylhydrazones with lead(Ⅱ) were synthesized and characterized. Their compositions, bonding forms and properties were researched by means of elemental analysis, IR, UV Vis, 1H NMR spectra, thermal analysis and molar conductance. The free ligands which existed in the keto form coordinated to lead(Ⅱ) in the enol form to form neutral complexes. The molar ratio of the ligand to lead(Ⅱ) is 2∶1 and the thermal stability of the complex is higher than that of the corresponding ligand because of the formation of the stable chelate ring. The ligands and the complexes are all non electrolytes.
基金Supported by the National Natural Science Foundation of China(No.21361011 and 21101081)the Natural Science Foundation of Jiangxi Province(No.20151BAB203002)Science Founds of State key laboratory of Structural Chemistry(20130011)
文摘A two-dimensional coordination polymer, [Pb（bmzbc）2]n（1）（Hbmzbc =4-benzimidazole-1-yl-benzoic acid）, has been synthesized by the solvothermal reaction of Pb（NO3）2 with Hbmzbc at 120 ℃ in ethanol solvent. Compound 1 has been characterized by single-crystal X-ray diffraction, powder X-ray diffraction, thermogravimetry analysis, and IR spectrum. Compound 1 crystallizes in the orthorhombic system, space group Pccn, with a = 12.5801（7）, b = 20.0795（11）, c = 9.1830（6） ？, V = 2319.6（2） A^3, Z = 4, C（28）H（18）N4O4Pb, Mr = 681.65, Dc = 1.952 g/cm^3, μ = 7.319 mm^-1, F（000） = 1312, the final R = 0.0336 and wR = 0.0965 for 1699 observed reflection with I 〉 2σ（I）. In 1, the bmzbc^– ligands bridge the Pb（Ⅱ） ions to generate a 2-D sheet with（4, 4） topology. The complex exhibits turquoise photoluminescent emission with a maximum at 480 nm upon excitation at 300 nm.
基金supported by the Fundamental Research Funds for the Central Universities(No.3122017071)Training Program of Innovation and Entrepreneurship for Undergraduates(No.201710059010)+1 种基金Open Project of Tianjin Key Lab Struct.&Performance Funct Mol(Tianjin Normal Univ.)National Natural Science Foundation of China(No.21501196)
文摘One new three-dimensional polymeric PbⅡ complex,[Pb3(CTA)2(H2 O)2]n·nH2O(1),(H3 CTA = cis,cis-1,3,5-cyclohexanetricarboxylic acid), has been synthesized. Single-crystal X-ray diffraction analyses reveal that complex 1 has a three-dimensional architecture consisting of Pb2O2 dimeric building units, which shows two types of PbⅡ centers(eight-coordinated Pb(1),six-coordinated Pb(2) and Pb(3)). The eight-coordinated Pb(1) center possesses a stereochemically ‘inactive’ electron lone pair, and the coordination sphere is holodirected. However, the arrangement of oxygen atoms around Pb(2) and Pb(3) suggests a gap or hole in the coordination geometry. The stereo-chemically ‘active’ electron lone pairs of Pb(2) and Pb(3) possibly occupy these ‘holes’ and their coordination spheres are hemidirected. Its properties have been determined by FT-IR spectra, elemental analyses and thermogravimetric analyses(TGA). Solid-state luminescent properties of 1 also have been determined, indicating strong fluorescent emissions.
基金This work was supported by the Natural Science Foundation of Shandong Province (No. Y2002B06)
文摘The title compound of isonicotinato lead（Ⅱ） [Pb（C5H4NCOO）2] has been optimized at B3LYP/LANL2DZ level of theory and calculated results show that the lead（Ⅱ） ion adopts 4-coordinate geometry. Atomic charge distributions indicate that during forming the title compound, each isonicotinic acid ion transfers -0.452 e to lead（Ⅱ） ion. The electronic spectra calculations show that there exist two absorption bands and the electronic transitions are mainly derived from the contribution of intraligand π→π^＊ transition and ligand-to-metal charge transfer （LMCT） transition. The thermodynamic properties of the title compound at different temperatures have been calculated and corresponding relations between property and temperature have also been obtained. The calculation of the second order optical nonlinearity was carried out, and the molecular hyperpolarizability was 3.62365^＊10^-30 esu.
文摘The coordination compound of [Pb（PNS）（NO3）Cl]·H2O was synthesized by using ligand PNS and lead nitrate.The molecular structure of [Pb（PNS）（NO3）Cl]·H2O was determined by using a single crystal diffraction analysis.The crystal belongs to triclinic with space group P1-.The unit cell parameters are as follows:a=0.7634（3）nm,b=0.7794（3）nm,c=1.0679（5）nm,d=102.087（13）°,β=91.605（13）°,（γ=91.605（10）°,V=0.6262（5）nm3,Z=2,Mr=2.582g/cm3）,μ=13.709mm-1,F（000）=452,R1=0.0355,wR2=0.0785 for the title complex.In [Pb（PNS）（NO3）Cl]·H2O,the Pb（Ⅱ） ion has a distorted square pyramided coordination geometry coordinated by two N and one O atoms from PNS,one Cl-ion and one 0 atom from nitrate ion.
文摘The title compound was prepared by the solid state reaction of stoichiometric amounts of CdCl2·H2O and 4 nitroaniline . The crystal used for X ray analysis was obtained by slow evaporation of an ethanol aqueous solution of the solid state reaction at room temperature. The structure of compound was characterized by X ray diffraction analysis. The crystal belongs to orthorhombic, space group Pbca, a=0.77864(7)nm,b=0.72547(6)nm,c=3.3126(2)nm,Z=4,V=1.8712(3)nm3,Dc=1.890g·cm-3,μ=1.763mm-1,F(000)=1048,R=0.0300,wR=0.0697. The title compound is a typical two dimensional organic intercalated compound. The inorganic layers of the compound are formed by CdCl6 octahedra sharing corner Cl atoms (i.e. catena poly[dihlorocadmium di μ chloro]). The organic ammonium cations are intercalated between every two metal halogen layers and formed the organic layers of the compound through hydrogen bonding.
