Xingyou Xu

Synthesis, crystal structures and toxicity of bicadmium(ii) complexes with macrocyclic, hexaaza-bearing, hydroxyethyl pendants

Three bicadmium(II) complexes with hydroxyethyl pendants were synthesized by [2 + 2] Schiff-base condensation of 2-[bis(2-aminoethyl)amino]ethanol with sodium 2,6-diformyl-4-R-phenolate (for Complex 1, R = F; Complex 2, R = Cl; Complex 3, R = CH3) in the presence of Cd2+. Crystals of 1 were monoclinic, space group P21/c, with a = 16.251(9), b = 21.424(11), c = 12.994(7) Å and β = 106.622(9)°. Both Cd(II) atoms were heptacoordinated with monocapped-octahedral geometry. Complex 3 crystals were isolated as triclinic, space group P−1 with α = 15.502(4), b = 16.060(4), c = 16.642(5) Å and α = 68.813(4), β = 80.836(4), γ =  86.551(4)°. The coordination number and coordination geometry of the Cd ion in one cationic unit of 3 are similar to that of 1, while in the other cationic unit, one Cd atom is N3O4 heptacoordinated and the other Cd atom has an N3O3 coordination environment and possesses a distorted octahedral geometry. The toxicity of these complexes was evaluated by testing antimicrobial activity against bacterial strands.

Preparation, structure and photocatalysis of metal-organic frameworks derived from aromatic carboxylate and imidazole-based ligands

Abstract Three 3-D metal-organic frameworks (MOFs), [Cd(NDC)(biim-4)]·0.5H2O (1), [Cd2(TDC)2(biim-4)2(H2O)2] (2) and [Zn2(biim-4)2(TDC)2]·2.5H2O (3) (biim-4 = 1,4-bis(1-imidazolyl) butyric alkyl; H2NDC = 1,4-naphthalene dicarboxylic acid; H2TDC = thiophene-2,5-dicarboxylic acid), have been synthesized under hydrothermal conditions and structurally characterized by single X-ray diffraction. The three MOFs have high photocatalytic degradation effects on methyl orange under UV irradiation. Through electronic structure analysis combined with time-dependent density functional theory calculations, catalytic performances of these materials are correlated with the molecular composition and the optoelectronic properties of the samples.

Crystal structure and properties of a Cu(II) complex with the tridentate Schiff-base ligand, paeonol-(2-aminoethylpiperazine)

A new copper Schiff-base complex [Cu(C15H23N3O2)(NO3)]NO3 was synthesized and characterized by spectroscopic (IR), thermal (TG/DTA) and electrochemical methods. Single crystal X-ray diffraction revealed that the complex is monoclinic, space group P2(1)/c, with a = 23.549(2), b = 6.583(12), c = 12.765(15) Å, β = 102.823(2)°, V = 1929.4(5) Å3, Z = 4, D calcd = 1.601 Mg m−3, F(000) = 964, goodness-of-fit = 1.034 and R 1 = 0.0407. The Cu(II) is four-coordinate with distorted square planar geometry. The structure consists of isolated [Cu(C15H23N3O2)(NO3)]+ and a nitrate, which are further linked to a 3D network by significant N–H ··· O, N–H ··· N hydrogen bonds and weak O ··· Cu interaction.

Syntheses, structures, and properties of three MOFs based on tertbutylphenyl imidazole dicarboxylate

By hydrothermal reactions of a newly designed ligand, 2-(p-tert-butylphenyl)-1H-imidazole-4,5-dicarboxylic acid (H3BuPhIDC) with Cd(II) or Zn(II), three metal-organic frameworks, [Cd(μ3-HBuPhIDC)(H2O)]·2H2O (1), [Cd(μ3-HBuPhIDC)(4,4′-bipy)0.5] (4,4′-bipy = 4,4′-bipyridine) (2), and [Zn2(μ3-HBuPhIDC)2(CH3OH)2] (3), have been obtained and characterized by elemental analyses, IR spectroscopy, and single-crystal X-ray diffraction. In 1, small countless diamond grids form a mesh structure and then are bridged through μ3-HBuPhIDC2− linkers building a 3-D framework. Compared with 1, 4,4′-bipy participates in the construction of a 3-D structure of 2. Polymer 3 shows an interesting 3-D open architecture, which contains infinite 1-D octagonal channels built by left- and right-handed helical chains. Thermal and solid-state photoluminescence properties of the polymers have been investigated.

Synthesis, crystal structure, and properties of a new zinc coordination polymer [Zn(PMP)2Cl] n

A new coordination polymer [Zn(PMP)2Cl] n (PMP = 1-phenyl-3-methyl-5-pyrazolone) has been prepared by the reaction of zinc chloride and PMP, and characterized by elemental analysis, IR, UV, and fluorescence spectra, TG/DTA, and electrochemical analysis. Single crystal X-ray diffraction revealed that the complex is monoclinic, space group P 2(1)/n, with a = 10.850(17), b = 17.578(2), c = 10.997(18) Å, β = 104.999(3)°, V = 2025.8(5) Å3, Z = 4, Dc = 1.470 mg m−3, F(000) = 920, goodness-of-fit = 0.905, and R 1 = 0.0441. The complex is a 1-D coordination polymer, and the coordination geometry of Zn(II) is a distorted tetrahedron.

Synthesis, Crystal Structure, and Properties of a Tetranuclear Copper(II) Complex With α-Naphthylacetic Acid

A tetranuclear copper(II) complex, Cu4(NAA)8(CH3CN)2 (1) (HNAA = α-naphthylacetic acid), has been prepared and structurally characterized by IR, elemental analysis, TGA, and single-crystal X-ray diffraction. Complex 1 features a tetranuclear cluster based on two bridged binuclear units, which is further interlinked into a higher dimensional supramolecular framework by intermolecular weak interactions. The weak antiferromagnetic behavior in 1 can be observed.

A Novel Ni(II) Coordination Polymer Constructed From Organic Acid and Bis(imidazol) Ligand: Hydrothermal Synthesis, Crystal Structure, and Electrochemical Properties

A novel coordination polymer, [Ni(BDC)(bix)(H2O)] (H2BDC = 1,4-benzenedicarboxylic; bix = 1,4-bis(imidazol-1-ylmethyl) benzene), has been synthesized under hydrothermal conditions and structurally characterized by elemental analyses, IR spectroscopy, and single X-ray diffraction. Ni(II) ion in a distorted octahedral coordination environment and bix plays a bidentate bridging ligand to conform the 2D square grid structure which is expands to the 3D structure through the hydrogen bonds. The thermal and electrochemical properties of complex were investigated as well.

Synthesis and Crystal Structure of A New One‐Dimensional Chain Bioxygen‐Bridged Complex {[Pb2(C8H7O3)2(H2O)2](ClO4)2}n

A new one‐dimensional chain binuclear lead(II) complex has been synthesized with bioxygen‐bridged two lead(II) ion together with 3‐methoxyl‐4‐hydroxyl‐phenyaldehyde (vanillin). The crystal structure of the complex was determined by the X‐ray diffraction. The complex crystalizes in triclinic system, space group P1 with a=7.312(5)Å, b=9.047(6)Å, c=9.063(7)Å, α=98.484(12)°, β=92.916(11)°, γ=98.600(11)°, 584.7(7)Å3, F(000)=440, Z=1, D c =2.702 g/cm3, R1 =0.0399, wR 2 =0.1071. The coordination number of the lead is five. The coordination geometry of the Pb2+ ion is a irregularity polyhedron.