A novel 1-D Cd( coordination polymer, [Cd( p-BDOA)·2H2O]n (I) ( p-BDOA2-=benzene-1,4-dioxyacetate dianion) has been synthesized and characterized by elemental analysis, IR, PL, TG and X-ray single crystal diffrac...A novel 1-D Cd( coordination polymer, [Cd( p-BDOA)·2H2O]n (I) ( p-BDOA2-=benzene-1,4-dioxyacetate dianion) has been synthesized and characterized by elemental analysis, IR, PL, TG and X-ray single crystal diffraction. The Crystal crystallizes in monoclinic system, the space group is C2/c, with the crystal cell parameters a=1.175 1(1) nm, b=0.551 0(1) nm, c=1.827 7(2) nm, β=96.14(2)°, and V=1.176 6(3) nm3,, Mr=372.60, R=0.045 9, wR=0.127 9. The Cd( ion has a trigonal prism coordination configuration that defined by four carboxyl O atoms from two different p-BDOA2- ligands and two water molecules. Adjacent Cd( ions are linked by carboxylate groups with the bidentate coordination mode, giving rise to a chain structure with the adjacent Cd...Cd distance of 1.526 3(5) nm. Furthermore, such chains are linked by hydrogen bonds to form supramolecular network. The results of PL and TG show that the complex exhibits intense fluorescent emissions and its chain skeleton is thermally stable up to 419 K. CCDC: 220443.展开更多
A novel cadmium complex with 8-quinolinyloxyacetate has been prepared and characterized by X-ray diffraction. The complex is a centrosymmetric [Cd2L2Cl4(MeOH)2] dinuclear structure and the Cd centre is in a distorted ...A novel cadmium complex with 8-quinolinyloxyacetate has been prepared and characterized by X-ray diffraction. The complex is a centrosymmetric [Cd2L2Cl4(MeOH)2] dinuclear structure and the Cd centre is in a distorted octahedron geometry. The crystal is in triclinic system, space group P1, with a=0.752 2(4) nm, b=1.043 1(5) nm, c=1.097 3(6) nm, α=66.11(2)°, β=72.48(2)°, γ=70.28(2)° and Z=1. The most striking feature of this complex is the formation of a 3D network bridged through the intermolecular N-H...O, O-H...O, C-H...O and C-H...Cl hydrogen bonds and stabilized via intermolecular π-π stacking interactions. CCDC: 224677.展开更多
The synthesis, structural characterization and theoretical investigation of a novel alkoxo-bridged dinuclear copper(II) compound has been described. The title compound has the formula C22H28Cl2Cu2N8O11. It consists of...The synthesis, structural characterization and theoretical investigation of a novel alkoxo-bridged dinuclear copper(II) compound has been described. The title compound has the formula C22H28Cl2Cu2N8O11. It consists of dinuclear units with bridging methoxo groups. The ligands 2-amino-pyridine and 2-amino-6-hydroxyl-pyridine are linked to each copper via the pyridine N atoms respectively, providing a square planar CuN2O2 unit. The ClO4- anions in the title compound are semi-coordinated to copper ion at the distance of 0.265 83(4) nm (Cu-O(ClO4-). The Cu-Cu distances within the dinuclear units are 0.299 79(9) nm with Cu-O-Cu angles of 102.27(9)°. The structures are stabilized by intramolecular H-bonds between the amino hydrogen atoms and oxygen atoms. Based on crystal data, quantum chemistry calculation on DFT/B3LPY level was used to reveal the electronic structure of the title compound. CCDC: 270807.展开更多
文摘A novel 1-D Cd( coordination polymer, [Cd( p-BDOA)·2H2O]n (I) ( p-BDOA2-=benzene-1,4-dioxyacetate dianion) has been synthesized and characterized by elemental analysis, IR, PL, TG and X-ray single crystal diffraction. The Crystal crystallizes in monoclinic system, the space group is C2/c, with the crystal cell parameters a=1.175 1(1) nm, b=0.551 0(1) nm, c=1.827 7(2) nm, β=96.14(2)°, and V=1.176 6(3) nm3,, Mr=372.60, R=0.045 9, wR=0.127 9. The Cd( ion has a trigonal prism coordination configuration that defined by four carboxyl O atoms from two different p-BDOA2- ligands and two water molecules. Adjacent Cd( ions are linked by carboxylate groups with the bidentate coordination mode, giving rise to a chain structure with the adjacent Cd...Cd distance of 1.526 3(5) nm. Furthermore, such chains are linked by hydrogen bonds to form supramolecular network. The results of PL and TG show that the complex exhibits intense fluorescent emissions and its chain skeleton is thermally stable up to 419 K. CCDC: 220443.
文摘A novel cadmium complex with 8-quinolinyloxyacetate has been prepared and characterized by X-ray diffraction. The complex is a centrosymmetric [Cd2L2Cl4(MeOH)2] dinuclear structure and the Cd centre is in a distorted octahedron geometry. The crystal is in triclinic system, space group P1, with a=0.752 2(4) nm, b=1.043 1(5) nm, c=1.097 3(6) nm, α=66.11(2)°, β=72.48(2)°, γ=70.28(2)° and Z=1. The most striking feature of this complex is the formation of a 3D network bridged through the intermolecular N-H...O, O-H...O, C-H...O and C-H...Cl hydrogen bonds and stabilized via intermolecular π-π stacking interactions. CCDC: 224677.
文摘The synthesis, structural characterization and theoretical investigation of a novel alkoxo-bridged dinuclear copper(II) compound has been described. The title compound has the formula C22H28Cl2Cu2N8O11. It consists of dinuclear units with bridging methoxo groups. The ligands 2-amino-pyridine and 2-amino-6-hydroxyl-pyridine are linked to each copper via the pyridine N atoms respectively, providing a square planar CuN2O2 unit. The ClO4- anions in the title compound are semi-coordinated to copper ion at the distance of 0.265 83(4) nm (Cu-O(ClO4-). The Cu-Cu distances within the dinuclear units are 0.299 79(9) nm with Cu-O-Cu angles of 102.27(9)°. The structures are stabilized by intramolecular H-bonds between the amino hydrogen atoms and oxygen atoms. Based on crystal data, quantum chemistry calculation on DFT/B3LPY level was used to reveal the electronic structure of the title compound. CCDC: 270807.
