A novel two-dimensional coordination polymer: poly[diaquatetra-μ2-chlorido-[μ2-2,2'-(piperazine-1,4-diium-1,4-diyl)diacetate]dicadmium(II)].

In the crystal structure of the title two-dimensional metal-organic polymeric complex, [Cd2Cl4(C8H14N2O4)(H2O)2]n, the asymmetric unit contains a crystallographically independent Cd(II) cation, two chloride ligands, an aqua ligand and half a 2,2'-(piperazine-1,4-diium-1,4-diyl)diacetate (H2PDA) ligand, the piperazine ring centroid of which is located on a crystallographic inversion centre. Each Cd(II) centre is six-coordinated in an octahedral environment by an O atom from an H2PDA ligand and an O atom from an aqua ligand in a trans disposition, and by four chloride ligands arranged in the plane perpendicular to the O-Cd-O axis. The complex forms a two-dimensional layer polymer containing [CdCl2]n chains, which are interconnected into an extensive three-dimensional hydrogen-bonded network by C-H···O, C-H···Cl and O-H···O hydrogen bonds.

Magnetic investigations of a two-dimensional coordination polymer with a three-dimensional supramolecular framework: poly[[bis[μ2-1,4-bis(1,2,4-triazol-1-yl)butane]bis(thiocyanato-κN)cobalt(II)] dihydrate].

In the title mixed-ligand metal-organic polymeric complex, {[Co(NCS)2(C8H12N6)2]·2H2O}n, the asymmetric unit contains a divalent Co(II) cation, which sits on an inversion centre, two halves of two crystallographically distinct and centrosymmetric 1,4-bis(1,2,4-triazol-1-yl)butane (BTB) ligands, one N-bound thiocyanate ligand and one solvent water molecule. The Co(II) atom possesses a distorted {CoN6} octahedral geometry, with the equatorial positions taken up by triazole N atoms from four different BTB ligands. The axial positions are filled by thiocyanate N atoms.

A one-dimensional coordination polymer based on Cd2O2 clusters: poly[aqua(μ3-4,4'-sulfonyldibenzoato)(3,4,7,8-tetramethyl-1,10-phenanthroline-κ(2)N,N')cadmium(II)].

In the title mixed-ligand metal-organic polymeric complex [Cd(C14H8O6S)(C16H16N2)(H2O)]n, the asymmetric unit contains a crystallographically unique Cd(II) atom, one doubly deprotonated 4,4'-sulfonyldibenzoic acid ligand (H2SDBA), one 3,4,7,8-tetramethyl-1,10-phenanthroline (TMPHEN) molecule and one water molecule. Each Cd(II) centre is coordinated by two N atoms from the chelating TMPHEN ligand, three O atoms from monodentate carboxylate groups of three different SDBA(2-) ligands and one O atom from a coordinated water molecule, giving a distorted CdN2O4 octahedral geometry. Single-crystal X-ray diffraction analysis reveals that the compound is a one-dimensional double-chain polymer containing 28-membered rings based on Cd2O2 clusters, with a Cd.

A one-dimensional coordination polymer with a three-dimensional supramolecular framework: catena-poly[[[(3,4,7,8-tetramethyl-1,10-phenanthroline)cadmium(II)]-μ3-4,4'-sulfonyldibenzoato] trihydrate].

In the title mixed-ligand metal-organic polymeric compound, {[Cd(C14H8O6S)(C16H16N2)]·3H2O}n, the asymmetric unit contains a crystallographically unique Cd(II) atom, one doubly deprotonated 4,4'-sulfonyldibenzoic acid (H2SDBA) ligand, one 3,4,7,8-tetramethyl-1,10-phenanthroline (TMPHEN) molecule and three solvent water molecules. Each Cd(II) centre is six-coordinated by two O atoms from a chelating carboxylate group of a SDBA(2-) ligand, two O atoms from monodentate carboxylate groups of two different SDBA(2-) ligands and two N atoms from a chelating TMPHEN ligand. There are two coordination patterns for the carboxylate groups of the SDBA(2-) ligand, with one in a μ1-η(1):η(1) chelating mode and the other in a μ2-η(1):η(1) bis-monodentate mode.

A fivefold interpenetrating diamond-like three-dimensional metal-organic framework: poly[(μ2-benzene-1,4-diacetato)[μ2-1,6-bis(1,2,4-triazol-1-yl)hexane]zinc(II)].

In the mixed-ligand metal-organic title polymeric compound, [Zn(C(10)H(8)O(4))(C(10)H(16)N(6))](n) or [Zn(PBEA)(BTH)](n) [H(2)PBEA is benzene-1,4-diacetic acid and BTH is 1,6-bis(1,2,4-triazol-1-yl)hexane], the asymmetric unit contains a Zn(II) atom, one half of a BTH ligand and one half of a doubly deprotonated H(2)PBEA ligand. Each Zn(II) centre lies on a crystallographic twofold rotation axis and is four-coordinated by two O atoms from two distinct PBEA(2-) ligands and two N atoms from two different BTH ligands in a {ZnO(2)N(2)} coordination environment. The three-dimensional topology of the title compound corresponds to that of a fivefold interpenetrating diamond-like metal-organic framework.

The coordination polymer poly[bis[μ2-2-(2,2'-bi-1H-imidazol-1-yl)acetato]cadmium].

The title compound, [Cd(C(8)H(7)N(4)O(2))(2)](n), crystallizes in the centrosymmetric triclinic space group P1 with an asymmetric unit consisting of a bivalent Cd(II) atom and two 2-(2,2'-bi-1H-imidazol-1-yl)acetate (BDAC(-)) anions. Two inversion-related BDAC(-) ligands are oppositely arranged and bind two Cd(II) ions to form a [Cd(2)(BDAC)(2)] rhomboid subunit which is bridged by another BDAC(-) ligand to form an infinite ladder along the a direction containing parallelogram grids. The three-dimensional supramolecular architecture is formed by hydrogen bonds and C-H···π and π-π interactions.

Poly[(μ3-benzene-1,4-diacetato)[μ2-1,4-bis(1,2,4-triazol-1-yl)butane]cadmium(II)]: self assembly into a three-dimensional supramolecular framework based on [Cd(μ3-benzene-1,4-diacetate)] double chains.

The title compound, [Cd(C(10)H(8)O(4))(C(8)H(12)N(6))](n), crystallizes with an asymmetric unit comprising a divalent Cd(II) atom, a benzene-1,4-diacetate (PBEA(2-)) ligand and a complete 1,4-bis(1,2,4-triazol-1-yl)butane (BTB) ligand. [Cd(PBEA)](n) double chains, arranged parallel to the c axis, are formed through an exo-tridentate binding mode of the PBEA(2-) ligands. These [Cd(PBEA)](n) double chains are pillared by tethering BTB ligands, in which the BTB shows a trans-trans-trans conformation, to establish [Cd(PBEA)(BTB)](n) two-dimensional coordination polymer (4,4)-layer slab patterns.

A novel two-dimensional (4,4) network based on dinuclear cadmium secondary building units: poly[(μ5-benzene-1,4-diacetato)[μ2-1,4-bis(1,2,4-triazol-1-yl)butane]cadmium(II)].

In the title mixed-ligand metal-organic polymeric compound, [Cd(C(10)H(8)O(4))(C(8)H(12)N(6))](n) or [Cd(PBEA)(BTB)](n) [H(2)PBEA is benzene-1,4-diacetic acid and BTB is 1,4-bis(1,2,4-triazol-1-yl)butane], the asymmetric unit contains one Cd(II) ion, one BTB molecule and one PBEA(2-) anion. The Cd(II) ion is in a slightly distorted pentagonal-bipyramidal geometry, coordinated by five carboxylate O atoms from three distinct PBEA(2-) anions and by two BTB N atoms. There are two coordination patterns for the carboxylate groups of the PBEA(2-) ligand, one being a μ(1)-η(1):η(1) chelating mode and the other a μ(2)-η(2):η(1) bridging mode, while the BTB molecule shows a trans-trans-trans conformation.

catena-Poly[[diaqua-cadmium(II)]-μ-4,4'-sulfonyl-dibenzoato-κO:O].

The title compound, [Cd(C(14)H(8)O(6)S)(H(2)O)(2)](n), comprises zigzag chains parallel to [111] of alternating [Cd(H(2)O)(2)](2+) and sulfonyl-dibenzoate units, with the Cd and S atoms lying on crystallographic twofold axes. The central Cd(II) ion is in a slightly distorted octa-hedral geometry, coordinated by six O atoms from two carboxyl-ate groups and two water O atoms. An intra-molecular C-H⋯O hydrogen bond occurs.

catena-Poly[[[tetra-aqua-zinc(II)]-μ-1,4-bis-(1,2,4-triazol-1-yl)butane-κN:N] biphenyl-4,4'-dicarboxyl-ate].

The asymmetric unit of the polymeric title compound, {[Zn(C(8)H(12)N(6))(H(2)O)(4)](C(14)H(8)O(4))}(n) or {[Zn(BTB)(H(2)O)(4)](BPDC)}(n) [BTB is 1,4-bis-(1,2,4-triazol-1-yl)butane and H(2)BPDC is biphenyl-4,4'-dicarb-oxy-lic acid], contains half a [Zn(BTB)(H(2)O)(4)](2+) cation and half a BPDC anion, both ions lying about a crystallographic inversion centre. The crystal structure consists of zigzag polymeric cationic chains parallel to the c axis and uncoordinated anions linked into a three-dimensional supra-molecular architecture by O-H⋯O, C-H⋯O hydrogen bonds and C-H⋯π inter-actions.

Molecular dynamic simulations on the structures and properties of epsilon-CL-20(0 0 1)/F 2314 PBX.

Molecular dynamical (MD) simulations with the COMPASS force field were employed to investigate the influences of temperature (T), the concentration of F(2314) binder (W%), and crystal defects on the mechanical properties, binding energy (E(bind)), and detonation properties of epsilon-CL-20(001)/F(2314) PBX (polymer bonded explosives). T was found to have some influences on the mechanical properties, and the PBX at 298 K was considered with better mechanical properties. By radial distribution function g(r) analysis the three types of hydrogen bonds, H.

Mitochondrial modulation is involved in the hepatoprotection of Limonium sinense extract against liver damage in mice.

Aim Of The Study: Limonium sinense (Girard) Ktze is a Chinese folk medicine used to treat fever, hemorrhage, hepatitis, and other disorders. The present research focused on the protective effects of L. sinense extracts (LSE) against liver damage.

[Spectrum characterization and fine structure of copper phthalocyanine-doped TiO2 microcavities].

Copper phthalocyanine-doped TiO2 microcavities were fabricated by chemistry method. Their spectrum characterization was studied by Fourier transform infrared (FTIR) and Raman spectroscopy, and their fine structure was analyzed by X-ray absorption fine structure (XAFS). The results show that there is interaction of copper phthalocyanine (CuPc) and TiO2 microcavities after TiO2 microcavities was doped with CuPc.

[Preparation and spectral characteristic of TiO2/SnO2 composite oxides].

To study the spectral characteristic of TiO2/SnO2, TiO2/SnO2 composite oxide with SnO2 inside kernel was fabricated by colloid chemistry method, and was studied with UV-visible absorption spectrum, X-ray diffraction and infrared spectrum. The results showed that the bandgap widths of TiO2 and TiO2/SnO2 were 4.13 and 3.

[Effect of surface decoration on the spectral characteristics of alpha-Fe2O3 ultrafine particles].

The alpha-Fe2O3 ultrafine particles were equally dispersed in the solutions of stearic acid/n-hexane/chloroform by the ultrasonic method, the surfaces of the alpha-Fe2O3 ultrafine particles were decorated by stearic acid, and the alpha-Fe2O3 ultrafine particles decorated had very good flowage characteristic. Before alpha-Fe2O3 ultrafine particles were decorated, the UV absorption was very strong at wavelengths shorter than 290 nm, and there was a shoulder peak at 330 nm. The absorption band edges of alpha-Fe2O3 ultrafine particles was at 392 nm, and shifted toward blue, which was in contrast with that of bulk Fe2O3.