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Sample records for one-dimensional coordination polymer

  1. One dimensional coordination polymers: Synthesis, crystal structures and spectroscopic properties

    NASA Astrophysics Data System (ADS)

    Karaağaç, Dursun; Kürkçüoğlu, Güneş Süheyla; Şenyel, Mustafa; Şahin, Onur

    2016-11-01

    Two new one dimensional (1D) cyanide complexes, namely [M(4-aepy)2(H2O)2][Pt(CN)4], (4-aepy = 4-(2-aminoethyl)pyridine M = Cu(II) (1) or Zn(II) (2)), have been synthesized and characterized by vibrational (FT-IR and Raman) spectroscopy, single crystal X-ray diffraction, thermal and elemental analyses techniques. The crystallographic analyses reveal that 1 and 2 are isomorphous and isostructural, and crystallize in the monoclinic system and C2 space group. The Pt(II) ions are coordinated by four cyanide-carbon atoms in the square-planar geometry and the [Pt(CN)4]2- ions act as a counter ion. The M(II) ions display an N4O2 coordination sphere with a distorted octahedral geometry, the nitrogen donors belonging to four molecules of the organic 4-aepy that act as unidentate ligands and two oxygen atoms from aqua ligands. The crystal structures of 1 and 2 are similar each other and linked via intermolecular hydrogen bonding, Pt⋯π interactions to form 3D supramolecular network. Vibration assignments of all the observed bands are given and the spectral features also supported to the crystal structures of the complexes.

  2. Slow dynamics of the magnetization in one-dimensional coordination polymers: single-chain magnets.

    PubMed

    Miyasaka, Hitoshi; Julve, Miguel; Yamashita, Masahiro; Clérac, Rodolphe

    2009-04-20

    Slow relaxation of the magnetization (i.e., "magnet-like" behavior) in materials composed of magnetically isolated chains was observed for the first time in 2001. This type of behavior was predicted in the 1960s by Glauber in a chain of ferromagnetically coupled Ising spins (the so-called Glauber dynamics). In 2002, this new class of nanomagnets was named single-chain magnets (SCMs) by analogy to single-molecule magnets that are isolated molecules displaying related superparamagnetic properties. A long-range order occurs only at T = 0 K in any pure one-dimensional (1D) system, and thus such systems remain in their paramagnetic state at any finite temperature. Nevertheless, the combined action of large uniaxial anisotropy and intrachain magnetic interactions between high-spin magnetic units of the 1D arrangement promotes long relaxation times for the magnetization reversal with decreasing temperature, and finally at significantly low temperatures, the material can behave as a magnet. In this Forum Article, we summarize simple theoretical approaches used for understanding typical SCM behavior and some rational synthetic strategies to obtain SCM materials together with representative examples of SCMs previously reported.

  3. A one-dimensional coordination polymer based on a di-Schiff base supported trinuclear CuII subunit.

    PubMed

    Zhang, Liangliang; Liu, Fuling; Yuan, Shuai; Wang, Xiaoyang; Sun, Di

    2012-04-01

    A novel one-dimensional Cu(II) coordination polymer, catena-poly[bis(μ(4)-3-{[2-(3-hydroxy-2-oxidobenzylidene)hydrazinylidene]methyl}benzene-1,2-diolato)dimethanoltricopper(II)], [Cu(3)(C(14)H(10)N(2)O(4))(2)(CH(3)OH)(2)](n), (I), was constructed with a di-Schiff base supported centrosymmetric trinuclear Cu(II) subunit. In the subunit, two peripheral symmetry-related Cu(II) cations have square-pyramidal CuNO(4) geometry and the central third Cu(II) cation lies on an inversion centre with octahedral CuN(2)O(4) geometry. In (I), each partially deprotonated di-Schiff base 3-{[2-(3-hydroxy-2-oxidobenzylidene)hydrazinylidene]methyl}benzene-1,2-diolate ligand (Hbcaz(3-)) acts as a heptadentate ligand to bind the Cu(II) centres into chains along the a axis. A centrosymmetric Cu(2)O(2) unit containing an asymmetrically bridging O atom, being axial at one Cu atom and equatorial at the other Cu atom, links the trinuclear Cu(II) subunit into a one-dimensional chain, which is reinforced by intramolecular phenol-methanol O-H...O and methanol-phenolate O-H...O hydrogen bonds. Interchain π-π stacking interactions between pyrocatechol units, with a distance of 3.5251 (18) Å, contribute to the stability of the crystal packing. PMID:22476144

  4. Coordination chemistry of 6-thioguanine derivatives with cobalt: toward formation of electrical conductive one-dimensional coordination polymers.

    PubMed

    Amo-Ochoa, Pilar; Alexandre, Simone S; Hribesh, Samira; Galindo, Miguel A; Castillo, Oscar; Gómez-García, Carlos J; Pike, Andrew R; Soler, José M; Houlton, Andrew; Zamora, Félix; Harrington, Ross W; Clegg, William

    2013-05-01

    In this work we have synthetized and characterized by X-ray diffraction five cobalt complexes with 6-thioguanine (6-ThioGH), 6-thioguanosine (6-ThioGuoH), or 2'-deoxy-6-thioguanosine (2'-d-6-ThioGuoH) ligands. In all cases, these ligands coordinate to cobalt via N7 and S6 forming a chelate ring. However, independently of reagents ratio, 6-ThioGH provided monodimensional cobalt(II) coordination polymers, in which the 6-ThioG(-) acts as bridging ligand. However, for 2'-d-6-ThioGuoH and 6-ThioGuoH, the structure directing effect of the sugar residue gives rise to mononuclear cobalt complexes which form extensive H-bond interactions to generate 3D supramolecular networks. Furthermore, with 2'-d-6-ThioGuoH the cobalt ion remains in the divalent state, whereas with 6-ThioGuoH oxidation occurs and Co(III) is found. The electrical and magnetic properties of the coordination polymers isolated have been studied and the results discussed with the aid of DFT calculations, in the context of molecular wires.

  5. The new one-dimensional coordination polymer catena-poly[[diaquasodium(I)]-μ-oxalato-[diaquairon(III)]-μ-oxalato].

    PubMed

    Benhacine, Mohamed Al Amine; Hamadène, Malika; Bouacida, Sofiane; Merazig, Hocine

    2016-03-01

    The oxalate dianion is one of the most studied ligands and is capable of bridging two or more metal centres and creating inorganic polymers based on the assembly of metal polyhedra with a wide variety of one-, two- or three-dimensional extended structures. Yellow single crystals of a new mixed-metal oxalate, namely catena-poly[[diaquasodium(I)]-μ-oxalato-κ(4)O(1),O(2):O(1'),O(2')-[diaquairon(III)]-μ-oxalato-κ(4)O(1),O(2):O(1'),O(2')], [NaFe(C2O4)2(H2O)4]n, have been synthesized and the crystal structure elucidated by X-ray diffraction analysis. The compound crystallizes in the noncentrosymmetric space group I41 (Z = 4). The asymmetric unit contains one Na(I) and one Fe(III) atom lying on a fourfold symmetry axis, one μ2-bridging oxalate ligand and two aqua ligands. Each metal atom is surrounded by two chelating oxalate ligands and two equivalent water molecules. The structure consists of infinite one-dimensional chains of alternating FeO4(H2OW1)2 and NaO4(H2OW2)2 octahedra, bridged by oxalate ligands, parallel to the [100] and [010] directions, respectively. Because of the cis configuration and the μ2-coordination mode of the oxalate ligands, the chains run in a zigzag manner. This arrangement facilitates the formation of hydrogen bonds between neighbouring chains involving the H2O and oxalate ligands, leading to a two-dimensional framework. The structure of this new one-dimensional coordination polymer is shown to be unique among the A(I)M(III)(C2O4)2(H2O)n series. In addition, the absorption bands in the IR and UV-Visible regions and their assignments are in good agreement with the local symmetry of the oxalate ligand and the irregular environment of iron(III). The final product of the thermal decomposition of this precursor is the well-known ternary oxide NaFeO2. PMID:26942436

  6. The influence of different coordination environments on one-dimensional Cu(ii) coordination polymers for the photo-degradation of organic dyes.

    PubMed

    Hussain, Navid; Bhardwaj, Vimal K

    2016-05-01

    Three new Cu(ii) coordination polymers, namely, {[Cu3(L(1))(NO3)2(DMF)(H2O)]·3(DMF)}n (), [Cu3(L(1))(Cl)2(DMF)2]n () and [Cu3(L(2))(NO3)4(H2O)4]n (), were synthesized from pyridine-2,6-dicarbohydrazide based imine linked tritopic ligands. All the complexes were characterized using elemental analysis, IR, UV-vis spectroscopy and ESI-MS. The solid state structures of complexes were determined using single crystal X-ray crystallography. The complexes contain trinuclear copper units connected through different anions that lead to the formation of one dimensional (ID) chain structures. Depending upon the anion of the copper salt and donor atoms of the ligands used in complexation, a small variation in the structures was observed. In complex , the trinuclear copper units are connected by phenoxo-bridging (μ2-O(-)) along with one coordinated water molecule, whereas complex is connected through chloride bridging (μ2-Cl) and complex is connected through nitrate ions (μ-[O-N-O]) along with four water molecules. Photo-catalytic activities of the synthesized complexes () were investigated. All the complexes were found to be photo-catalytically active; however, the distinct coordination environment of the metal ions (i.e. difference in the coordinated water molecules and donor sites of ligands) played a significant role in the catalytic activities. Therefore, this study presents comparative photo-catalytic studies of different coordination environments of metal ions in one-dimensional Cu(ii) coordination polymers. The results provide a potential pathway for the rational design of more efficient photo-catalysts. PMID:27054292

  7. One-dimensional Cu(II) coordination polymers containing C2h-symmetric 1,1':4',1''-terphenyl-3,3'-dicarboxylate linkers.

    PubMed

    Kim, Hyun Chul; Gu, Ja Min; Huh, Seong; Yo, Chul Hyun; Kim, Youngmee

    2015-10-01

    Two new one-dimensional Cu(II) coordination polymers (CPs) containing the C2h-symmetric terphenyl-based dicarboxylate linker 1,1':4',1''-terphenyl-3,3'-dicarboxylate (3,3'-TPDC), namely catena-poly[[bis(dimethylamine-κN)copper(II)]-μ-1,1':4',1''-terphenyl-3,3'-dicarboxylato-κ(4)O,O':O'':O'''] monohydrate], {[Cu(C20H12O4)(C2H7N)2]·H2O}n, (I), and catena-poly[[aquabis(dimethylamine-κN)copper(II)]-μ-1,1':4',1''-terphenyl-3,3'-dicarboxylato-κ(2)O(3):O(3')] monohydrate], {[Cu(C20H12O4)(C2H7N)2(H2O)]·H2O}n, (II), were both obtained from two different methods of preparation: one reaction was performed in the presence of 1,4-diazabicyclo[2.2.2]octane (DABCO) as a potential pillar ligand and the other was carried out in the absence of the DABCO pillar. Both reactions afforded crystals of different colours, i.e. violet plates for (I) and blue needles for (II), both of which were analysed by X-ray crystallography. The 3,3'-TPDC bridging ligands coordinate the Cu(II) ions in asymmetric chelating modes in (I) and in monodenate binding modes in (II), forming one-dimensional chains in each case. Both coordination polymers contain two coordinated dimethylamine ligands in mutually trans positions, and there is an additional aqua ligand in (II). The solvent water molecules are involved in hydrogen bonds between the one-dimensional coordination polymer chains, forming a two-dimensional network in (I) and a three-dimensional network in (II).

  8. One-dimensional coordination polymers generated from a new triazole bridging ligand and HgX2 (X = Cl, Br and I): characterization and luminescent properties.

    PubMed

    Qin, Na; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin

    2012-06-01

    The new 4-amino-1,2,4-triazole asymmetric bridging ligand 4-amino-5-(pyridin-3-yl)-3-[4-(pyridin-4-yl)phenyl]-4H-1,2,4-triazole (L) has been used to generate three novel isomorphic one-dimensional coordination polymers, viz. catena-poly[[tris[dichloridomercury(II)]-bis{μ(3)-4-amino-5-(pyridin-3-yl)-3-[4-(pyridin-4-yl)phenyl]-4H-1,2,4-triazole}] acetonitrile monosolvate], {[Hg(3)Cl(6)(C(18)H(14)N(6))(2)]·CH(3)CN}(n), (I), and the bromido, {[Hg(3)Br(6)(C(18)H(14)N(6))(2)]·CH(3)CN}(n), (II), and iodido, {[Hg(3)I(6)(C(18)H(14)N(6))(2)]·CH(3)CN}(n), (III), analogs. The asymmetric ligand acts as a tridentate ligand to coordinate the three different Hg(II) centers (two of which are symmetry-related). Two ligands and two symmetry-related Hg(II) centers form centrosymmetric rectangular units which are linked into one-dimensional chains via the other unique Hg atoms, which sit on mirror planes. The chains are elaborated into a three-dimensional structure via interchain hydrogen bonds. The acetonitrile solvent molecules are located in ellipsoidal cavities. The luminescent character of these three coordination complexes was investigated in the solid state.

  9. Two-dimensional Zn(II) and one-dimensional Co(II) coordination polymers based on benzene-1,4-dicarboxylate and pyridine ligands.

    PubMed

    Zhou, Li-Juan; Han, Chang-Bao; Wang, Yu-Ling

    2016-02-01

    Coordination polymers constructed from metal ions and organic ligands have attracted considerable attention owing to their diverse structural topologies and potential applications. Ligands containing carboxylate groups are among the most extensively studied because of their versatile coordination modes. Reactions of benzene-1,4-dicarboxylic acid (H2BDC) and pyridine (py) with Zn(II) or Co(II) yielded two new coordination polymers, namely, poly[(μ4-benzene-1,4-dicarboxylato-κ(4)O:O':O'':O''')(pyridine-κN)zinc(II)], [Zn(C8H4O2)(C5H5N)]n, (I), and catena-poly[aqua(μ3-benzene-1,4-dicarboxylato-κ(3)O:O':O'')bis(pyridine-κN)cobalt(II)], [Co(C8H4O2)(C5H5N)2(H2O)]n, (II). In compound (I), the Zn(II) cation is five-coordinated by four carboxylate O atoms from four BDC(2-) ligands and one pyridine N atom in a distorted square-pyramidal coordination geometry. Four carboxylate groups bridge two Zn(II) ions to form centrosymmetric paddle-wheel-like Zn2(μ2-COO)4 units, which are linked by the benzene rings of the BDC(2-) ligands to generate a two-dimensional layered structure. The two-dimensional layer is extended into a three-dimensional supramolecular structure with the help of π-π stacking interactions between the aromatic rings. Compound (II) has a one-dimensional double-chain structure based on Co2(μ2-COO)2 units. The Co(II) cations are bridged by BDC(2-) ligands and are octahedrally coordinated by three carboxylate O atoms from three BDC(2-) ligands, one water O atom and two pyridine N atoms. Interchain O-H...O hydrogen-bonding interactions link these chains to form a three-dimensional supramolecular architecture. PMID:26846498

  10. A new one-dimensional coordination polymer of 5-(1,3-dioxo-4,5,6,7-tetraphenylisoindolin-2-yl)isophthalic acid with manganese.

    PubMed

    Wang, Jing; Jia, Chunmei; Feng, Xiao; Yuan, Wenbing

    2015-09-01

    The coordination polymer catena-poly[[(dimethylformamide-κO)[μ3-5-(1,3-dioxo-4,5,6,7-tetraphenylisoindolin-2-yl)isophthalato-κ(4)O(1),O(1'):O(3):O(3')](methanol-κO)manganese(III)] dimethylformamide monosolvate], {[Mn(C40H23NO6)(CH3OH)(C3H7NO)]·C3H7NO}n, has been synthesized from the reaction of 5-(1,3-dioxo-4,5,6,7-tetraphenylisoindolin-2-yl)isophthalic acid and manganese(II) acetate tetrahydrate in a glass tube at room temperature by solvent diffusion. The Mn(II) centre is hexacoordinated by two O atoms from one chelating carboxylate group, by two O atoms from two monodentate carboxylate groups and by one O atom each from a methanol and a dimethylformamide (DMF) ligand. The single-crystal structure crystallizes in the triclinic space group P\\overline{1}. Moreover, the coordination polymer shows one-dimensional 2-connected {0} uninodal chain networks, and free DMF molecules are connected to the chains by O-H···O hydrogen bonds. The thermogravimetric and photoluminescent properties of the compound have also been investigated.

  11. A new one-dimensional coordination polymer of 5-(1,3-dioxo-4,5,6,7-tetraphenylisoindolin-2-yl)isophthalic acid with manganese.

    PubMed

    Wang, Jing; Jia, Chunmei; Feng, Xiao; Yuan, Wenbing

    2015-09-01

    The coordination polymer catena-poly[[(dimethylformamide-κO)[μ3-5-(1,3-dioxo-4,5,6,7-tetraphenylisoindolin-2-yl)isophthalato-κ(4)O(1),O(1'):O(3):O(3')](methanol-κO)manganese(III)] dimethylformamide monosolvate], {[Mn(C40H23NO6)(CH3OH)(C3H7NO)]·C3H7NO}n, has been synthesized from the reaction of 5-(1,3-dioxo-4,5,6,7-tetraphenylisoindolin-2-yl)isophthalic acid and manganese(II) acetate tetrahydrate in a glass tube at room temperature by solvent diffusion. The Mn(II) centre is hexacoordinated by two O atoms from one chelating carboxylate group, by two O atoms from two monodentate carboxylate groups and by one O atom each from a methanol and a dimethylformamide (DMF) ligand. The single-crystal structure crystallizes in the triclinic space group P\\overline{1}. Moreover, the coordination polymer shows one-dimensional 2-connected {0} uninodal chain networks, and free DMF molecules are connected to the chains by O-H···O hydrogen bonds. The thermogravimetric and photoluminescent properties of the compound have also been investigated. PMID:26322606

  12. Color-tunable and white-light emission of one-dimensional L-di-2-thenoyltartaric acid mixed-lanthanide coordination polymers.

    PubMed

    Feng, Chang; Sun, Jing-Wen; Yan, Peng-Fei; Li, Yu-Xin; Liu, Tian-Qi; Sun, Qing-Yan; Li, Guang-Ming

    2015-03-14

    A series of L-di-2-thenoyltartaric acid lanthanide coordination polymers, namely, {[La2L3(CH3OH)6(H2O)]·CH3OH·H2O}n (1), {[Ln2L3(CH3OH)x(H2O)6−x]·aCH3OH·bH2O}n, [Ln = Eu (2), x = 2, a = 0.5, b = 0.25; Ln = Gd (3), x = 3, a = 1, b = 0; Ln = Tb (4), x = 2, a = 1, b = 0], {[(Eu0.037Tb0.963)2L3(CH3OH)2(H2O)4]·CH3OH·2.75H2O}n (5), {[(Eu0.051Tb0.406La0.543)2L3(CH3OH)2(H2O)4]·0.5CH3OH·2H2O}n (6), and {[(Eu0.068Tb0.363Gd0.569)2L3(CH3OH)3(H2O)3]·CH3OH·H2O}n (7), have been synthesized using facile reactions of H2L (H2L = L-di-2-thenoyltartaric acid) with LnCl3·6H2O under ambient temperature. X-ray crystallographic analysis reveals that complexes 1–4 are isostructural, featuring one-dimensional (1D) ladder-like chain structures, in which the Ln(3+) ions are bridged by the carboxylate groups of the ligands. The luminescent spectra in the solid state at room temperature reveal that complexes 2 and 4 exhibit the characteristic red and green luminescence of Eu(3+) and Tb(3+) ions, respectively, whereas complexes 1 and 3 display the blue emission of the ligand with a broad band centered at 422 nm. Notably, the mixed-lanthanide coordination polymers 5–7 exhibit color-tunable luminescence from yellow and white to blue upon variation of the excitation wavelength. It realizes color-tunable and white-light emission in 1D carboxylic acid mixed-lanthanide coordination polymers. PMID:25661972

  13. Crystal structure of a one-dimensional coordination polymer of tin(IV) bromide with 1,4-di­thiane

    PubMed Central

    Reuter, Hans; Röwekamp-Krugley, Natalia; Imwalle, Marius; Keil, Simona; Reichelt, Martin

    2015-01-01

    The title compound, [SnBr4(C4H8S2)] {systematic name: catena-poly[[tetrabromidotin(IV)]-μ-1,4-dithiane-κ2 S:S′]}, represents the first 1,4-di­thiane complex with tin as coordination centre. The asymmetric unit consist of half a formula unit with the tin(IV) atom at the centre of symmetry at 0,0,1/2 (Wyckoff symbol b) and a centrosymmetric 1,4-di­thiane mol­ecule with the centre of symmetry in 1/2,0,1 (Wyckoff symbol c). The tin(IV) atom is coordinated in a distorted octa­hedral manner by the four bromine atoms and two sulfur atoms of two 1,4-di­thiane mol­ecules in a trans-position. Sn—Br [mean value: 2.561 (5) Å] and Sn—S distances [2.6546 (6) Å] are in the typical range for octa­hedrally coordinated tin(IV) atoms and the di­thiane mol­ecule adopts a chair conformation. The one-dimensional polymeric chains propagate along the [101] direction with weak inter­molecular Br⋯Br [3.5724 (4) Å] between parallel chains and weak Br⋯H inter­actions [2.944–2.993 Å] within the chains. PMID:26870458

  14. Crystal structure of a one-dimensional coordination polymer of tin(IV) bromide with 1,4-di-thiane.

    PubMed

    Reuter, Hans; Röwekamp-Krugley, Natalia; Imwalle, Marius; Keil, Simona; Reichelt, Martin

    2015-12-01

    The title compound, [SnBr4(C4H8S2)] {systematic name: catena-poly[[tetrabromidotin(IV)]-μ-1,4-dithiane-κ(2) S:S']}, represents the first 1,4-di-thiane complex with tin as coordination centre. The asymmetric unit consist of half a formula unit with the tin(IV) atom at the centre of symmetry at 0,0,1/2 (Wyckoff symbol b) and a centrosymmetric 1,4-di-thiane mol-ecule with the centre of symmetry in 1/2,0,1 (Wyckoff symbol c). The tin(IV) atom is coordinated in a distorted octa-hedral manner by the four bromine atoms and two sulfur atoms of two 1,4-di-thiane mol-ecules in a trans-position. Sn-Br [mean value: 2.561 (5) Å] and Sn-S distances [2.6546 (6) Å] are in the typical range for octa-hedrally coordinated tin(IV) atoms and the di-thiane mol-ecule adopts a chair conformation. The one-dimensional polymeric chains propagate along the [101] direction with weak inter-molecular Br⋯Br [3.5724 (4) Å] between parallel chains and weak Br⋯H inter-actions [2.944-2.993 Å] within the chains.

  15. One-dimensional coordination polymers: Cu(II) and Zn(II) complexes of N-(2-pyridylmethyl)-glycine and N-(2-pyridylmethyl)- L-alanine

    NASA Astrophysics Data System (ADS)

    Wang, Xiaobai; Ranford, John D.; Vittal, Jagadese J.

    2006-08-01

    The crystal structures of three Cu(II) and one Zn(II) complexes of N-(2-pyridylmethyl)- L-glycine (Hpgly) and N-(2-pyridylmethyl)- L-alanine (Hpala) have been described. They are [Cu(pgly)Cl] · H 2O ( 1), [Cu(pala)Cl] · H 2O ( 2), [Cu(pala)(CH 3COO)] · 0.75H 2O ( 3), and [Zn(pgly)(NO 3)] ( 4). All these compounds have 1D polymeric structures in the solid state. In 1 and 2, the chloride ions bridge [Cu(pgly)] and [Cu(pala)] fragments, respectively, to generate 1D polymers while the bridging acetate ligands are responsible for the formation of ΛΔΛΔ type spiral polymers in 3. The nitrate ion in 4 is only acting as a terminal ligand while the carboxylate oxygen atom of the pala ligand bridges the Zn(II) centers to form the zigzag coordination polymeric chain. The 1D coordination polymers in 1 and 2 have very similar arrangements although crystallized in different space groups, and host 1D water chains in their crystal lattices.

  16. A novel one-dimensional manganese(II) coordination polymer containing both dicyanamide and pyrazinamide ligands: Synthesis, spectroscopic investigations, X-ray studies and evaluation of biological activities

    NASA Astrophysics Data System (ADS)

    Tabrizi, Leila; Chiniforoshan, Hossein; McArdle, Patrick

    2015-03-01

    A novel 1D coordination polymer {[Mn(μ1,5-dca)2(PZA)2](PZA)2}n, 1, has been synthesized and characterized by single crystal X-ray crystallography. The coordination mode of dicyanamide (dca) and pyrazinamide (PZA) ligands was inferred by IR spectroscopy. The compound 1 was evaluated for in vitro antimycobacterial and antitumor activities. It demonstrated better in vitro activity against Mycobacterium tuberculosis than pyrazinamide and its MIC value was determined. Complex 1 was also screened for its in vitro antitumor activity towards LM3 and LP07 murine cancer cell lines. In addition, the antibacterial activity of complex 1 has been tested against Gram(+) and Gram(-) bacteria and it has shown promising broad range anti-bacterial activity.

  17. A new one-dimensional Cd(II) coordination polymer with a two-dimensional layered structure incorporating 2-[(1H-imidazol-1-yl)methyl]-1H-benzimidazole and benzene-1,2-dicarboxylate ligands.

    PubMed

    Huang, Qiu Ying; Lin, Xiao Yi; Meng, Xiang Ru

    2016-06-01

    The N-heterocyclic ligand 2-[(1H-imidazol-1-yl)methyl]-1H-benzimidazole (imb) has a rich variety of coordination modes and can lead to polymers with intriguing structures and interesting properties. In the coordination polymer catena-poly[[cadmium(II)-bis[μ-benzene-1,2-dicarboxylato-κ(4)O(1),O(1'):O(2),O(2')]-cadmium(II)-bis{μ-2-[(1H-imidazol-1-yl)methyl]-1H-benzimidazole}-κ(2)N(2):N(3);κ(2)N(3):N(2)] dimethylformamide disolvate], {[Cd(C8H4O4)(C11H10N4)]·C3H7NO}n, (I), each Cd(II) ion exhibits an irregular octahedral CdO4N2 coordination geometry and is coordinated by four O atoms from two symmetry-related benzene-1,2-dicarboxylate (1,2-bdic(2-)) ligands and two N atoms from two symmetry-related imb ligands. Two Cd(II) ions are connected by two benzene-1,2-dicarboxylate ligands to generate a binuclear [Cd2(1,2-bdic)2] unit. The binuclear units are further connected into a one-dimensional chain by pairs of bridging imb ligands. These one-dimensional chains are further connected through N-H...O hydrogen bonds and π-π interactions, leading to a two-dimensional layered structure. The dimethylformamide solvent molecules are organized in dimeric pairs via weak interactions. In addition, the title polymer exhibits good fluorescence properties in the solid state at room temperature. PMID:27256695

  18. A new one-dimensional Cd(II) coordination polymer with a two-dimensional layered structure incorporating 2-[(1H-imidazol-1-yl)methyl]-1H-benzimidazole and benzene-1,2-dicarboxylate ligands.

    PubMed

    Huang, Qiu Ying; Lin, Xiao Yi; Meng, Xiang Ru

    2016-06-01

    The N-heterocyclic ligand 2-[(1H-imidazol-1-yl)methyl]-1H-benzimidazole (imb) has a rich variety of coordination modes and can lead to polymers with intriguing structures and interesting properties. In the coordination polymer catena-poly[[cadmium(II)-bis[μ-benzene-1,2-dicarboxylato-κ(4)O(1),O(1'):O(2),O(2')]-cadmium(II)-bis{μ-2-[(1H-imidazol-1-yl)methyl]-1H-benzimidazole}-κ(2)N(2):N(3);κ(2)N(3):N(2)] dimethylformamide disolvate], {[Cd(C8H4O4)(C11H10N4)]·C3H7NO}n, (I), each Cd(II) ion exhibits an irregular octahedral CdO4N2 coordination geometry and is coordinated by four O atoms from two symmetry-related benzene-1,2-dicarboxylate (1,2-bdic(2-)) ligands and two N atoms from two symmetry-related imb ligands. Two Cd(II) ions are connected by two benzene-1,2-dicarboxylate ligands to generate a binuclear [Cd2(1,2-bdic)2] unit. The binuclear units are further connected into a one-dimensional chain by pairs of bridging imb ligands. These one-dimensional chains are further connected through N-H...O hydrogen bonds and π-π interactions, leading to a two-dimensional layered structure. The dimethylformamide solvent molecules are organized in dimeric pairs via weak interactions. In addition, the title polymer exhibits good fluorescence properties in the solid state at room temperature.

  19. catena-Poly[[di-μ2-aqua-hexaaquabis(μ3-4-oxidopyridine-2,6-dicarboxylato)trimanganese(II)] trihydrate]: a new one-dimensional coordination polymer based on a trinuclear Mn(II) complex of chelidamic acid.

    PubMed

    Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Karrabi, Zahra; Notash, Behrouz

    2013-10-01

    4-Hydroxypyridine-2,6-dicarboxylic acid (chelidamic acid, hypydc[H]H2) reacts with MnCl2·2H2O in the presence of piperazine in water to afford the title complex, {[Mn3(C7H2NO5)2(H2O)8]·3H2O}n or {[Mn3(hypydc)2(H2O)8]·3H2O}n. This compound is a one-dimensional coordination polymer, with the twofold symmetric repeat unit containing three metal centres. Two different coordination geometries are observed for the two independent Mn(II) metal centres, viz. a distorted pentagonal bipyramid and a distorted octahedron. The 4-oxidopyridine-2,6-dicarboxylate anions and two of the water molecules act as bridging ligands. The zigzag-like geometry of the coordination polymer is stabilized by hydrogen bonds. O-H···O and C-H···O hydrogen bonds and water clusters consolidate the three-dimensional network structure.

  20. Asymmetrically doped one-dimensional trans-polymers

    NASA Astrophysics Data System (ADS)

    Caldas, Heron

    2009-10-01

    More than 30 years ago [H. Shirakawa, E.J. Louis, A.G. MacDiarmid, C.K. Chiang, A.J. Heeger, J. Chem. Soc. Chem. Comm. 578 (1977); S. Etemad, A.J. Heeger, Ann. Rev. Phys. Chem. 33 (1982) 443] it was discovered that doped trans-polyacetylene (CH)x, a one-dimensional (1D) conjugated polymer, exhibits electrical conductivity. In this work we show that an asymmetrically doped 1D trans-polymer has non-conventional properties, as compared to symmetrically doped systems. Depending on the level of asymmetry between the chemical potentials of the two involved fermionic species, the polymer can be in a partially or fully spin polarized state. Some possible experimental consequences of doped 1D trans-polymers used as 1D organic polarized conductors are discussed.

  1. Pseudo-one-dimensional nucleation in dilute polymer solutions

    NASA Astrophysics Data System (ADS)

    Zhang, Lingyun; Schmit, Jeremy D.

    2016-06-01

    Pathogenic protein fibrils have been shown in vitro to have nucleation-dependent kinetics despite the fact that one-dimensional structures do not have the size-dependent surface energy responsible for the lag time in classical theory. We present a theory showing that the conformational entropy of the peptide chains creates a free-energy barrier that is analogous to the translational entropy barrier in higher dimensions. We find that the dynamics of polymer rearrangement make it very unlikely for nucleation to succeed along the lowest free-energy trajectory, meaning that most of the nucleation flux avoids the free-energy saddle point. We use these results to construct a three-dimensional model for amyloid nucleation that accounts for conformational entropy, backbone H bonds, and side-chain interactions to compute nucleation rates as a function of concentration.

  2. Pseudo-one-dimensional nucleation in dilute polymer solutions.

    PubMed

    Zhang, Lingyun; Schmit, Jeremy D

    2016-06-01

    Pathogenic protein fibrils have been shown in vitro to have nucleation-dependent kinetics despite the fact that one-dimensional structures do not have the size-dependent surface energy responsible for the lag time in classical theory. We present a theory showing that the conformational entropy of the peptide chains creates a free-energy barrier that is analogous to the translational entropy barrier in higher dimensions. We find that the dynamics of polymer rearrangement make it very unlikely for nucleation to succeed along the lowest free-energy trajectory, meaning that most of the nucleation flux avoids the free-energy saddle point. We use these results to construct a three-dimensional model for amyloid nucleation that accounts for conformational entropy, backbone H bonds, and side-chain interactions to compute nucleation rates as a function of concentration. PMID:27415194

  3. One-dimensional mercury(II) halide coordination polymers of 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine ligand: Synthesis, crystal structure, spectroscopic and DFT studies

    NASA Astrophysics Data System (ADS)

    Saghatforoush, Lotfali; Khoshtarkib, Zeinab; Amani, Vahid; Bakhtiari, Akbar; Hakimi, Mohammad; Keypour, Hassan

    2016-01-01

    Three new coordination polymers, [Hg(μ-bptz)X2]n (X=Cl (1), Br (2)) and [Hg2(μ-bptz)(μ-I)2I2]n (3) (bptz=3,6-bis(2-pyridyl)-1,2,4,5-tetrazine) were synthesized. X-ray structural analysis indicated that compounds 1 and 2 are composed of one-dimensional (1D) linear chains while the compound 3 has 1D stair-stepped structure. The electronic band structure along with density of states (DOS) calculated by the DFT method indicates that compound 1 and 2 are direct band gap semiconductors; however, compound 3 is an indirect semiconductor. The linear optical properties of the compounds are also calculated by DFT method. According to the DFT calculations, the observed emission band of the compounds in solid state is due to electron transfer from an excited bptz-π* state (CBs) to the top of VBs. 1H NMR spectra of the compounds indicate that, in solution phase, the compounds don't decompose completely. Thermal stability of the compounds is studied using TG, DTA methods.

  4. Two new one-dimensional luminescent silver(I) and lead(II) coordination polymers containing the flexible ligand 2-(1 H-imidazole-1-yl)acetic acid

    NASA Astrophysics Data System (ADS)

    Wang, Yong-Tao; Qin, Ting-Xiao; Zhao, Chao; Tang, Gui-Mei; Li, Tian-Duo; Cui, Yue-Zhi; Li, Jun-Ying

    2009-12-01

    The free ligand, 2-(1 H-imidazole-1-yl)acetate (Hima, 1), was crystallized from the mixture solution of 1. Two new coordination polymers, [Ag(Hima)(NO 3)] ( 2) and {[Pb(Hima) 2(NO 3)](NO 3)} n ( 3), are achieved by reaction of a flexible Hima, AgNO 3 and Pb(NO 3), respectively. In 2, the silver(I) atom is coordinated by four oxygen atoms from three carboxylate groups and one nitrate ion in a distorted tetrahedral environment. The free ligand Hima acts as the tridentate coordination mode, which bridges the silver atoms into a zigzag chain featuring a rare [Ag 2(carboxylato-O,O')(carboxylato- μ1,1-O)] six-membered ring. The intra-dimer Ag···Ag distance is 2.966(l) Å. In 3, Pb(II) atom exhibits an eight-coordinated dodecahedral coordination geometry, in which a unique 1-D chain structure with dicubane-like can be observed. In two polymers, the ligand Hima exhibits new and unique coordination modes. Solid-state fluorescence spectra reveal that the emission bands of complex 2 center at 462 and 510 nm ( λex = 280 nm). In 3, the emission peaks locate at 465 and 547 nm upon excitation at 280 nm. In addition, they have been characterized by IR spectra and TG analysis.

  5. Brownian-dynamics computer simulations of a one-dimensional polymer model. I. Simple potentials

    SciTech Connect

    Cook, R.; Livornese, L.L.

    1982-11-01

    Brownian Dynamics computer simulation results are presented on a simple one-dimensional polymer model which contains the essential features of rotational angle flexibility. Comparison is made with analytical treatments of the model.

  6. Improving Brush Polymer Infrared One-Dimensional Photonic Crystals via Linear Polymer Additives

    SciTech Connect

    Macfarlane, Robert J.; Kim, Bongkeun; Lee, Byeongdu; Weitekamp, Raymond A.; Bates, Christopher M.; Lee, Siu Fung; Chang, Alice B.; Delaney, Kris T.; Fredrickson, Glen H.; Atwater, Harry A.; Grubbs, Robert H.

    2014-12-17

    Brush block copolymers (BBCPs) enable the rapid fabrication of self-assembled one-dimensional photonic crystals with photonic band gaps that are tunable in the UV-vis-IR, where the peak wavelength of reflection scales with the molecular weight of the BBCPs. Due to the difficulty in synthesizing very large BBCPs, the fidelity of the assembled lamellar nanostructures drastically erodes as the domains become large enough to reflect IR light, severely limiting their performance as optical filters. To overcome this challenge, short linear homopolymers are used to swell the arrays to ~180% of the initial domain spacing, allowing for photonic band gaps up to~1410 nm without significant opacity in the visible, demonstrating improved ordering of the arrays. Additionally, blending BBCPs with random copolymers enables functional groups to be incorporated into the BBCP array without attaching them directly to the BBCPs. The addition of short linear polymers to the BBCP arrays thus offers a facile means of improving the self-assembly and optical properties of these materials, as well as adding a route to achieving films with greater functionality and tailorability, without the need to develop or optimize the processing conditions for each new brush polymer synthesized.

  7. Reaction coordinates, one-dimensional Smoluchowski equations, and a test for dynamical self-consistency.

    PubMed

    Peters, Baron; Bolhuis, Peter G; Mullen, Ryan G; Shea, Joan-Emma

    2013-02-01

    We propose a method for identifying accurate reaction coordinates among a set of trial coordinates. The method applies to special cases where motion along the reaction coordinate follows a one-dimensional Smoluchowski equation. In these cases the reaction coordinate can predict its own short-time dynamical evolution, i.e., the dynamics projected from multiple dimensions onto the reaction coordinate depend only on the reaction coordinate itself. To test whether this property holds, we project an ensemble of short trajectory swarms onto trial coordinates and compare projections of individual swarms to projections of the ensemble of swarms. The comparison, quantified by the Kullback-Leibler divergence, is numerically performed for each isosurface of each trial coordinate. The ensemble of short dynamical trajectories is generated only once by sampling along an initial order parameter. The initial order parameter should separate the reactants and products with a free energy barrier, and distributions on isosurfaces of the initial parameter should be unimodal. The method is illustrated for three model free energy landscapes with anisotropic diffusion. Where exact coordinates can be obtained from Kramers-Langer-Berezhkovskii-Szabo theory, results from the new method agree with the exact results. We also examine characteristics of systems where the proposed method fails. We show how dynamical self-consistency is related (through the Chapman-Kolmogorov equation) to the earlier isocommittor criterion, which is based on longer paths.

  8. Polymer-loaded propagating modes on a one-dimensional photonic crystal

    SciTech Connect

    Han, Lu; Zhang, Douguo Chen, Yikai; Wang, Ruxue; Zhu, Liangfu; Wang, Pei; Ming, Hai; Lakowicz, Joseph R.; Badugu, Ramachandram

    2014-02-10

    We numerically and experimentally demonstrate that a polymer film-coated one-dimensional photonic crystal (1DPC) can sustain transverse electric (TE) polarized modes without the limit of guided layer's thickness. Our results indicate that two propagating modes are existing inside the polymer film, the first one is the TE polarized Bloch surface wave, and the second one is the TE polarized guided mode. Here in, the evolution of these two modes with change in the polymer film thickness is presented. Our numerical simulation results are in well-agreement with the experimental data obtained using back focal plane imaging.

  9. Poly[[[aqua(2,2'-bipyridine-kappa2N,N')manganese(II)]-mu-croconato-kappa4O,O':O'',O'''] monohydrate]: a one-dimensional coordination polymer connected by hydrophilic-hydrophilic and lipophilic-lipophilic interactions at 135 K.

    PubMed

    Chen, Hong-Feng; Fang, Qi; Chen, Hong-Yu; Yu, Wen-Tao; Weng, Lin-Hong

    2010-04-01

    In the title one-dimensional coordination polymer, {[Mn(C(5)O(5))(C(10)H(8)N(2))(H(2)O)].H(2)O}(n), each Mn(II) ion is seven-coordinated by four O atoms from two croconate ligands, two N atoms from a 2,2'-bipyridine (2,2'-bipy) ligand and one O atom from an aqua ligand. The croconate ligand bridges the Mn(II) ions in a bis-bidentate chelation mode, forming an extended [Mn(C(5)O(5))](n) chain running parallel to the [001] direction, with the lipophilic 2,2'-bipy ligands lying along one side and the hydrophilic water molecules along the opposite side. Coordinated water and solvent water molecules are arranged in the hydrophilic layer, which is characterized by O-H...O hydrogen bonds between croconate ligands. Meanwhile, 2,2'-bipy ligands from adjacent chains partially overlap and exhibit pi-pi interactions to form a lipophilic layer. The hydrophilic and lipophilic layers are arranged alternately to build a layer structure. PMID:20354296

  10. Flexible and transferable one-dimensional photonic crystals based on polymer infiltrated nanoparticle multilayers

    NASA Astrophysics Data System (ADS)

    Calvo, Mauricio E.; Míguez, Hernán

    2010-05-01

    Herein we present a series of self standing, flexible and transferable one-dimensional photonic crystal obtained through infiltration of a polymer solution in a porous stack prepared by alternating deposition of layers of TiO2 and SiO2 nanoparticles. Since the mesostructure is uniformly filled by the polymer, it is possible to lift off the hybrid multilayers using an adequate thermal treatment to obtain a multifunctional material that combines the optical properties of the periodic nanoporous multilayer and the structural and physic-chemical characteristics of the polymer used. The use of these hybrid 1DPCs as flexible interference filters, or as 1DPC to any kind of substrate is demonstrated.

  11. Orientational disorder in the one-dimensional coordination polymer catena-poly[[bis­(acetyl­acetonato-κ2 O,O′)cobalt(II)]-μ-1,4-di­aza­bicyclo­[2.2.2]octane-κ2 N 1:N 4

    PubMed Central

    Dumitru, Florina; Englert, Ulli; Braun, Beatrice

    2016-01-01

    The title compound, [Co(C5H7O2)2(C6H12N2)]n, was obtained as a one-dimensional coordination polymer from bis­(acetyl­acetonato)di­aqua­cobalt(II), [Co(acac)2(OH2)2], and 1,4-di­aza­bicyclo­[2.2.2]octane (DABCO), a di­amine with good bridging ability and rod-like spacer function. In the chain complex that extends along the c axis, the CoII atom is six-coordinated, the O-donor atoms of the chelating acac ligands occupying the equatorial positions and the bridging DABCO ligands being in trans-axial positions. In the crystal structure, the DABCO ligand is conformationally disordered in a 50:50 manner as a result of its location across a crystallographic mirror plane. The metal–metal distance is very close to that in a related compound exhibiting weak anti­ferromagnetic exchange between the CoII ions, and the title compound can thus be useful for obtaining more information about the contribution of different bridges to the magnetic coupling between paramagnetic ions. PMID:27375886

  12. Orientational disorder in the one-dimensional coordination polymer catena-poly[[bis-(acetyl-acetonato-κ(2) O,O')cobalt(II)]-μ-1,4-di-aza-bicyclo-[2.2.2]octane-κ(2) N (1):N (4)].

    PubMed

    Dumitru, Florina; Englert, Ulli; Braun, Beatrice

    2016-04-01

    The title compound, [Co(C5H7O2)2(C6H12N2)] n , was obtained as a one-dimensional coordination polymer from bis-(acetyl-acetonato)di-aqua-cobalt(II), [Co(acac)2(OH2)2], and 1,4-di-aza-bicyclo-[2.2.2]octane (DABCO), a di-amine with good bridging ability and rod-like spacer function. In the chain complex that extends along the c axis, the Co(II) atom is six-coordinated, the O-donor atoms of the chelating acac ligands occupying the equatorial positions and the bridging DABCO ligands being in trans-axial positions. In the crystal structure, the DABCO ligand is conformationally disordered in a 50:50 manner as a result of its location across a crystallographic mirror plane. The metal-metal distance is very close to that in a related compound exhibiting weak anti-ferromagnetic exchange between the Co(II) ions, and the title compound can thus be useful for obtaining more information about the contribution of different bridges to the magnetic coupling between paramagnetic ions.

  13. Pseudo one-dimensional analysis of polymer electrolyte fuel cell cold-start

    SciTech Connect

    Mukherjee, Partha P; Mukundan, Rangachary; Borup, Rodney L; Wang, Yun; Mishlera, Jeff

    2009-01-01

    This paper investigates the electrochemical kinetics, oxygen transport, and solid water formation in polymer electrolyte fuel cell (PEFC) during cold start. Following [Yo Wang, J. Electrochem. Soc., 154 (2007) B1041-B1048], we develop a pseudo one-dimensional analysis, which enables the evaluation of the impact of ice volume fraction and temperature variations on cell performance during cold-start. The oxygen profile, starvation ice volume fraction, and relevant overpotentials are obtained. This study is valuable for studying the characteristics of PEFC cold-start.

  14. Fluorescence excitation enhancement by Bloch surface wave in all-polymer one-dimensional photonic structure

    SciTech Connect

    Fornasari, L.; Floris, F.; Patrini, M.; Guizzetti, G.; Marabelli, F.; Canazza, G.; Comoretto, D.

    2014-08-04

    We demonstrate photoluminescence excitation enhancement in an all-polymer flexible one-dimensional photonic crystal structure capped with a fluorescent organic ultrathin film. When optical matching conditions between the excitation beam and the Bloch Surface Wave mode supported by the photonic structure are achieved, a ten times enhancement of the photoluminescence is observed. We notice that in these systems luminescence signal reinforcement is achieved by increasing the pump efficiency with no need of spectral resonance to the emission of the chosen fluorophore. All these features make these systems suitable candidates for easy, flexible, and cheap fluorescent sensing.

  15. Synthesis and structures of ligand-dominated one-dimensional silver(I)-bis(pyridylmethyl)amine coordination chains

    NASA Astrophysics Data System (ADS)

    Lin, Hung-Jui; Liu, Yu-Chiao; Tseng, Yu-Jui; Wu, Jing-Yun

    2016-10-01

    Reactants slow diffusion of Ag(I) salts with 3,4‧-bis(pyridylmethyl)amine (3,4‧-bpma), an unsymmetric bis-pyridyl ligand equipped with a non-innocent amine backbone, afforded polymeric coordination adducts 1-5 having a general formula {[Ag(3,4‧-bpma)(solv)]X}n (solv = H2O, CH3OH, and none; X= CF3CO2-, BF4-, ClO4-, CF3SO3-, and SbF6-). Single-crystal X-ray diffraction (SCXRD) analyses reveal that colorless crystals of Ag(I) coordination polymers (CPs) 1-5 have very similar one-dimensional (1D) non-flat chain structures, which are preferentially depicted as a "zipper-like" rather than a ladder-like or a double-stranded chain topologies. The 3,4‧-bpma ligand in these Ag(I) CPs displays a μ3-bridging mode with a gauche-trans (1,4, and 5) and a trans-trans (2 and 3) conformations. Noteworthy, anions do not show strong influence on structural modulation of Ag(I) CPs in the solid state, but really affect CP conformations and packing fashions, indicative of a ligand-dominated assembly process for such a Ag(I)-3,4‧-bpma system. Thermal stabilities and solid-state photoluminescence properties of crystalline materials 1-5 were investigated.

  16. Intra-molecular Carrier Pathway Analysis in One-Dimensional Fused Furan Polymer

    NASA Astrophysics Data System (ADS)

    Ohmori, Shigekazu; Kawabata, Hiroshi; Tokunaga, Ken; Tachikawa, Hiroto

    2010-01-01

    The electronic structure and density distribution in the poly-fused furans were investigated using density functional theory (DFT) calculations. Differential electron density (DED) distribution analysis of the neutral and charged states of oligomer species were calculated to visualize spatial charge modulation in the molecular. Polymers of fused furans [p-F(n)] were also investigated using one-dimensional periodic boundary conditions (PBC) for comparison. A difference in the electronic structure and density distribution of p-F(n) was found between electron and hole transport processes. The electronic states of F(n) and p-F(n) were discussed on the basis of the differential electron density distribution, density of states (DOS) around the frontier states, and crystal orbital overlap population (COOP) analysis.

  17. Multiple time scale dynamics of distance fluctuations in a semiflexible polymer: a one-dimensional generalized Langevin equation treatment.

    PubMed

    Debnath, Pallavi; Min, Wei; Xie, X Sunney; Cherayil, Binny J

    2005-11-22

    Time-dependent fluctuations in the distance x(t) between two segments along a polymer are one measure of its overall conformational dynamics. The dynamics of x(t), modeled as the coordinate of a particle moving in a one-dimensional potential well in thermal contact with a reservoir, is treated with a generalized Langevin equation whose memory kernel K(t) can be calculated from the time-correlation function of distance fluctuations C(t) identical with x(0)x(t). We compute C(t) for a semiflexible continuum model of the polymer and use it to determine K(t) via the GLE. The calculations demonstrate that C(t) is well approximated by a Mittag-Leffler function and K(t) by a power-law decay on time scales of several decades. Both functions depend on a number of parameters characterizing the polymer, including chain length, degree of stiffness, and the number of intervening residues between the two segments. The calculations are compared with the recent observation of a nonexponential C(t) and a power law K(t) in the conformational dynamics within single molecule proteins [Min et al., Phys. Rev. Lett. 94, 198302 (2005)].

  18. One-dimensional polymers based on silver(I) cations and organometallic cyclo-P3 ligand complexes.

    PubMed

    Gregoriades, Laurence J; Wegley, Brian K; Sierka, Marek; Brunner, Eike; Gröger, Christian; Peresypkina, Eugenia V; Virovets, Alexander V; Zabel, Manfred; Scheer, Manfred

    2009-10-01

    The synthesis and characterization of the first supramolecular aggregates incorporating the organometallic cyclo-P3 ligand complexes [CpRMo(CO)2(eta3-P3)] (CpR=Cp (C5H5; 1a), Cp* (C5(CH3)5; 1b)) as linking units is described. The reaction of the Cp derivative 1a with AgX (X=CF3SO3, Al{OC(CF3)3}4) yields the one-dimensional (1D) coordination polymers [Ag{CpMo(CO)2(mu,eta3:eta1:eta1-P3)}2]n[Al{OC(CF3)3}4]n (2) and [Ag{CpMo(CO)2(mu,eta3:eta1:eta1-P3)}3]n[X]n (X=CF3SO3 (3a), Al{OC(CF3)3}4 (3b)). The solid-state structures of these polymers were revealed by X-ray crystallography and shown to comprise polycationic chains well-separated from the weakly coordinating anions. If AgCF3SO3 is used, polymer 3a is obtained regardless of reactant stoichiometry whereas in the case of Ag[Al{OC(CF3)3}4], reactant stoichiometry plays a decisive role in determining the structure and composition of the resulting product. Moreover, polymers 3a, b are the first examples of homoleptic silver complexes in which Ag(I) centers are found octahedrally coordinated to six phosphorus atoms. The Cp* derivative 1b reacts with Ag[Al{OC(CF3)3}4] to yield the 1D polymer [Ag{Cp*Mo(CO)2(mu,eta3:eta2:eta1-P3)}2]n[Al{OC(CF3)3}4]n (4), the crystal structure of which differs from that of polymer 2 in the coordination mode of the cyclo-P3 ligands: in 2, the Ag+ cations are bridged by the cyclo-P3 ligands in a eta1:eta1 (edge bridging) fashion whereas in 4, they are bridged exclusively in a eta2:eta1 mode (face bridging). Thus, one third of the phosphorus atoms in 2 are not coordinated to silver while in 4, all phosphorus atoms are engaged in coordination with silver. Comprehensive spectroscopic and analytical measurements revealed that the polymers 2, 3a, b, and 4 depolymerize extensively upon dissolution and display dynamic behavior in solution, as evidenced in particular by variable temperature 31P NMR spectroscopy. Solid-state 31P magic angle spinning (MAS) NMR measurements, performed on the polymers 2, 3

  19. A novel binuclear copper complex incorporating a nalidixic acid derivative displaying a one-dimensional coordination polymeric structure.

    PubMed

    Bergamini, F R G; Ribeiro, M A; Miranda, P C M L; Formiga, A L B; Corbi, P P

    2016-07-01

    The identification of the antibacterial action of nalidixic acid (nx) was central to the development of the quinolone antibacterial compounds. The ability of the nx naphthyridyl ring to interact with and inhibit some proteins has encouraged the investigation of similar structures in the search for more active compounds with less adverse effects. The possibility of structural modification by attachment of other biologically active moieties to the naphthyridyl ring of nx allowed the development of new active antimicrobial molecules. Hydrazone derivatives of nx can be synthesized easily based on the condensation of the hydrazide derivative of nx with the desired aldehyde or ketone. Only a few complexes with nx hydrazone derivatives have been described but for none were the crystal structures elucidated. The synthesis of a new one-dimensional Cu(II) coordination polymer, namely catena-poly[[copper(II)-di-μ-chlorido-copper(II)-{μ-1-ethyl-N'-[(1H-imidazol-4-yl)methylidene]-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carbohydrazidato}-[dimethanolcopper(II)]-{μ-1-ethyl-N'-[(1H-imidazol-3-yl)methylidene]-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carbohydrazidato}] dichloride methanol tetrasolvate], {[Cu3(C16H15N6O2)2Cl2(CH3OH)2]Cl2·4CH3OH}n, with the (1H-imidazol-4-yl)methylidene carbohydrazide derivative of nalidixic acid (denoted h4imi), is presented and its structure is compared to the density functional theory (DFT) optimized structure of free h4imi. The title structure presents an octahedral Cu(II) ion on an inversion centre alternating along a polymer chain with a square-pyramidal Cu(II) ion, with the two Cu(II) centres bridged by two chloride ligands. Hydrogen bonds involving chloride counter-ions and methanol solvent molecules mediate the three-dimensional packing of the polymer. Comparison of the geometrical results from the structure analysis with those derived from a DFT study of the free ligand reveal the differences that arise upon coordination

  20. A novel binuclear copper complex incorporating a nalidixic acid derivative displaying a one-dimensional coordination polymeric structure.

    PubMed

    Bergamini, F R G; Ribeiro, M A; Miranda, P C M L; Formiga, A L B; Corbi, P P

    2016-07-01

    The identification of the antibacterial action of nalidixic acid (nx) was central to the development of the quinolone antibacterial compounds. The ability of the nx naphthyridyl ring to interact with and inhibit some proteins has encouraged the investigation of similar structures in the search for more active compounds with less adverse effects. The possibility of structural modification by attachment of other biologically active moieties to the naphthyridyl ring of nx allowed the development of new active antimicrobial molecules. Hydrazone derivatives of nx can be synthesized easily based on the condensation of the hydrazide derivative of nx with the desired aldehyde or ketone. Only a few complexes with nx hydrazone derivatives have been described but for none were the crystal structures elucidated. The synthesis of a new one-dimensional Cu(II) coordination polymer, namely catena-poly[[copper(II)-di-μ-chlorido-copper(II)-{μ-1-ethyl-N'-[(1H-imidazol-4-yl)methylidene]-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carbohydrazidato}-[dimethanolcopper(II)]-{μ-1-ethyl-N'-[(1H-imidazol-3-yl)methylidene]-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carbohydrazidato}] dichloride methanol tetrasolvate], {[Cu3(C16H15N6O2)2Cl2(CH3OH)2]Cl2·4CH3OH}n, with the (1H-imidazol-4-yl)methylidene carbohydrazide derivative of nalidixic acid (denoted h4imi), is presented and its structure is compared to the density functional theory (DFT) optimized structure of free h4imi. The title structure presents an octahedral Cu(II) ion on an inversion centre alternating along a polymer chain with a square-pyramidal Cu(II) ion, with the two Cu(II) centres bridged by two chloride ligands. Hydrogen bonds involving chloride counter-ions and methanol solvent molecules mediate the three-dimensional packing of the polymer. Comparison of the geometrical results from the structure analysis with those derived from a DFT study of the free ligand reveal the differences that arise upon coordination.

  1. The controlled synthesis of polyglucose in one-dimensional coordination nanochannels.

    PubMed

    Kobayashi, Yuichiro; Horie, Yuki; Honjo, Kayako; Uemura, Takashi; Kitagawa, Susumu

    2016-04-14

    We demonstrate a feasible method for the preparation of polyglucose (PGlc) with controlled structures, where the polymerization of glucose monomers was performed using one-dimensional nanochannels of [La(1,3,5-benzenetrisbenzoate)(H2O)]n (1). Cationic ring-opening polymerization of 1,6-anhydro-β-D-glucose (levoglucosan) using 1 gave a quasi-linear PGlc, which contrasts highly with the results obtained from conventional polymerizations in bulk and solution. The regulated structure of PGlc prepared using the PCP led to a remarkable improvement in the processability and thermal stability of PGlc, which is useful in applications as a bioplastic.

  2. The controlled synthesis of polyglucose in one-dimensional coordination nanochannels.

    PubMed

    Kobayashi, Yuichiro; Horie, Yuki; Honjo, Kayako; Uemura, Takashi; Kitagawa, Susumu

    2016-04-14

    We demonstrate a feasible method for the preparation of polyglucose (PGlc) with controlled structures, where the polymerization of glucose monomers was performed using one-dimensional nanochannels of [La(1,3,5-benzenetrisbenzoate)(H2O)]n (1). Cationic ring-opening polymerization of 1,6-anhydro-β-D-glucose (levoglucosan) using 1 gave a quasi-linear PGlc, which contrasts highly with the results obtained from conventional polymerizations in bulk and solution. The regulated structure of PGlc prepared using the PCP led to a remarkable improvement in the processability and thermal stability of PGlc, which is useful in applications as a bioplastic. PMID:26996883

  3. Facile synthesis of one-dimensional organometallic-organic hybrid polymers based on a diphosphorus complex and flexible bipyridyl linkers.

    PubMed

    Elsayed Moussa, M; Attenberger, B; Peresypkina, E V; Fleischmann, M; Balázs, G; Scheer, M

    2016-08-21

    The selective synthesis of a series of new "ladderlike" one-dimensional organometallic-organic hybrid polymers is shown. The polymers are obtained from the reaction of the diphosphorus ligand complex [Cp2Mo2(CO)4(η(2)-P2)] with the copper salt [Cu(CH3CN)4]BF4 in the presence of flexible organic bipyridyl linkers in high selectivity. This unique behaviour is supported by DFT calculations.

  4. Determining the response of infinite, one-dimensional, non-uniform periodic structures by substructuring using waveshape coordinates

    NASA Astrophysics Data System (ADS)

    Brown, G. P.; Byrne, K. P.

    2005-10-01

    A method is presented for determining the wavenumbers, waveshapes and point receptances for an infinite, one-dimensional, non-uniform periodic structure with distributed periodic attachments or supports. The approach is based on a general theory of harmonic wave propagation in one-dimensional periodic systems. Ill-conditioning was previously reported as an impediment to applying the theory to problems of practical importance. In this paper ill-conditioning problems are overcome and a method of substructuring using waveshape coordinates is presented that dramatically improves computational efficiency. The accuracy and generality of the new method are tested by comparing computed and measured receptances for a typical TGV railway track with UIC60 rail, rail pad, ballast and concrete sleepers. The computed results are found to correlate well with measured data.

  5. Isotypic one-dimensional coordination polymers: catena-poly[[di-chlorido-cadmium]-μ-5,6-bis-(pyridin-2-yl)pyrazine-2,3-di-carboxyl-ato-κ(2) N (5):N (6)] and catena-poly[[di-chlorido-mercury(II)]-μ-5,6-bis-(pyridin-2-yl)pyrazine-2,3-di-carboxyl-ato-κ(2) N (5):N (6)].

    PubMed

    Alfonso, Montserrat; Stoeckli-Evans, Helen

    2016-08-01

    The isotypic title one-dimensional coordination polymers, [CdCl2(C18H14N4O4)] n , (I), and [HgCl2(C18H14N4O4)] n , (II), are, respectively, the cadmium(II) and mercury(II) complexes of the dimethyl ester of 5,6-bis-(pyridin-2-yl)pyrazine-2,3-di-carb-oxy-lic acid. In both compounds, the metal ions are located on a twofold rotation axis and a second such axis bis-ects the Car-Car bonds of the pyrazine ring. The metal ions are bridged by binding to the N atoms of the two pyridine rings and have an MN2Cl2 bisphenoidal coordination geometry. The metal-Npyrazine distances are much longer than the metal-Npyridine distances; the difference is 0.389 (2) Å for the Cd-N bonds but only 0.286 (5) Å for the Hg-N bond lengths. In the crystals of both compounds, the polymer chains are linked via pairs of C-H⋯Cl hydrogen bonds, forming corrugated slabs parallel to the ac plane. PMID:27536417

  6. Isotypic one-dimensional coordination polymers: catena-poly[[di­chlorido­cadmium]-μ-5,6-bis­(pyridin-2-yl)pyrazine-2,3-di­carboxyl­ato-κ2 N 5:N 6] and catena-poly[[di­chlorido­mercury(II)]-μ-5,6-bis­(pyridin-2-yl)pyrazine-2,3-di­carboxyl­ato-κ2 N 5:N 6

    PubMed Central

    Alfonso, Montserrat; Stoeckli-Evans, Helen

    2016-01-01

    The isotypic title one-dimensional coordination polymers, [CdCl2(C18H14N4O4)]n, (I), and [HgCl2(C18H14N4O4)]n, (II), are, respectively, the cadmium(II) and mercury(II) complexes of the dimethyl ester of 5,6-bis­(pyridin-2-yl)pyrazine-2,3-di­carb­oxy­lic acid. In both compounds, the metal ions are located on a twofold rotation axis and a second such axis bis­ects the Car—Car bonds of the pyrazine ring. The metal ions are bridged by binding to the N atoms of the two pyridine rings and have an MN2Cl2 bisphenoidal coordination geometry. The metal–Npyrazine distances are much longer than the metal–Npyridine distances; the difference is 0.389 (2) Å for the Cd—N bonds but only 0.286 (5) Å for the Hg—N bond lengths. In the crystals of both compounds, the polymer chains are linked via pairs of C—H⋯Cl hydrogen bonds, forming corrugated slabs parallel to the ac plane. PMID:27536417

  7. Geometry dependence of electronic and energetic properties of one-dimensional peanut-shaped fullerene polymers.

    PubMed

    Noda, Yusuke; Ono, Shota; Ohno, Kaoru

    2015-03-26

    In the present study, we investigate different types of 1D peanut-shaped fullerene polymers (PSFPs) using density functional theory to understand the electronic states and the energetic stability of curved carbon nanomaterials. We generated 53 different models of the 1D PSFPs by means of the generalized Stone-Wales transformations and performed structural optimization for each model. Band structures of the 1D PSFPs exhibit either metallic or semiconducting property according to the geometrical structures. We find that the energetic stability of the 1D PSFPs depends on the geometry: the more octagon and pentagon-octagon pairs (heptagons and hexagon-heptagon pairs) in their geometrical structures, the more stable (unstable) the 1D PSFPs. PMID:25738487

  8. A coordinate Bethe ansatz approach to the calculation of equilibrium and nonequilibrium correlations of the one-dimensional Bose gas

    NASA Astrophysics Data System (ADS)

    Zill, Jan C.; Wright, Tod M.; Kheruntsyan, Karén V.; Gasenzer, Thomas; Davis, Matthew J.

    2016-04-01

    We use the coordinate Bethe ansatz to exactly calculate matrix elements between eigenstates of the Lieb–Liniger model of one-dimensional bosons interacting via a two-body delta-potential. We investigate the static correlation functions of the zero-temperature ground state and their dependence on interaction strength, and analyze the effects of system size in the crossover from few-body to mesoscopic regimes for up to seven particles. We also obtain time-dependent nonequilibrium correlation functions for five particles following quenches of the interaction strength from two distinct initial states. One quench is from the noninteracting ground state and the other from a correlated ground state near the strongly interacting Tonks–Girardeau regime. The final interaction strength and conserved energy are chosen to be the same for both quenches. The integrability of the model highly constrains its dynamics, and we demonstrate that the time-averaged correlation functions following quenches from these two distinct initial conditions are both nonthermal and moreover distinct from one another.

  9. A polymer-based functional pattern on one-dimensional photonic crystals for photon sorting of fluorescence radiation.

    PubMed

    Ballarini, Mirko; Frascella, Francesca; De Leo, Natascia; Ricciardi, Serena; Rivolo, Paola; Mandracci, Pietro; Enrico, Emanuele; Giorgis, Fabrizio; Michelotti, Francesco; Descrovi, Emiliano

    2012-03-12

    In this work we introduce the use of a patterned polymer-based surface functionalization of a one-dimensional photonic crystal (1DPC) for controlling the emission direction of fluorescent proteins (ptA) via coupling to a set of two Bloch Surface Waves (BSW). Each BSW dispersion branch relates to a micrometric region on the patterned 1DPC, characterized by a well defined chemical characteristic. We report on the enhanced and spatially selective excitation of fluorescent ptA, and on the spatially-resolved detection of polarized emitted radiation coupled to specific BSW modes. As a result, we provide an optical multiplexing technique for the angular separation of fluorescence radiated from micrometric regions having different surface properties, even in the case the emitting labels are spectrally identical. This working principle can be advantageously extended to a multi-step nanometric relief structure for self-referencing biosensing or frequency-multiplexed fluorescence detection. PMID:22418554

  10. A Kamikaze Approach for Capturing Hg(2+) Ions through the Formation of a One-Dimensional Metal-Organometallic Polymer.

    PubMed

    Rahaman, Sk Atiur; Roy, Biswajit; Mandal, Soumik; Bandyopadhyay, Subhajit

    2016-02-01

    Efficient uptake of Hg(2+) ions in mercury-resistant bacteria is attributed to the presence of cysteine thiolates in the Mer proteins. In this work, a pyridine-appended pyridine-fused imidazolyl-2-thione scaffold was used as a mimic for the cysteinyl residues for efficient binding of the Hg(2+) ions. In the presence of Hg(2+) ions, an aryl C-H bond of the ligand is activated. The sulfur and nitrogen donors on the other end of the ligand coordinate with a second Hg(2+) ion. This motif in the presence of acetate ions forms a one-dimensional polymeric crystalline network characterized by singal-crystal X-ray diffraction studies. The formation of this polymeric structure leads to efficient removal (∼99%) of Hg(2+) ions from aqueous solutions through an underexplored "kamikaze" approach involving a small-molecule ligand as a sacrificial agent for trapping the ion. PMID:26784576

  11. Photophysics of quasi-one-dimensional excitons in pi-conjugated polymers and semiconducting single-walled carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Sheng, Chuanxiang

    , illustrating the universal features of quasi-one-dimensional excitons in carbon-based pi-conjugated systems. In both cases PA1 gives the lower limit of the binding energy of the lowest optical exciton. The binding energy of lowest exciton belonging to the widest S-NTs with diameters ≥ 1 nm in films is 0.3-0.4 eV, as well as ˜ 0.9 eV in PPV polymers.

  12. Crystal structure of a one-dimensional looped-chain silver(I) coordination polymer: catena-poly[[silver(I)-bis-{μ-4-[1-(5'-isopropyl-[1,1':3',1''-terphen-yl]-2'-yl)-1H-imidazol-2-yl]pyridine-κ(2) N:N'}] nitrate methanol monosolvate monohydrate].

    PubMed

    Moon, Suk-Hee; Park, Ki-Min; Kang, Youngjin

    2016-07-01

    In the title compound, {[Ag(C29H25N3)2]NO3·CH3OH·H2O} n , the Ag(I) cation is four-coordinated by two pyridine N atoms and two imidazole N atoms from four individual 4-(1-(5'-isopropyl-[1,1':3',1''-terphen-yl]-2'-yl)-1H-imidazol-2-yl)pyridine (i-pro-pyim) ligands. This gives rise to a highly distorted tetra-hedral geometry with bond angles falling in the range 100.33 (19)-122.76 (19)°. Two crystallographically independent i-pro-pyim ligands (A and B) adopt very similar conformations to one another, such that the dihedral angles between the pyridyl and imidazolyl rings in the two ligands are 40.7 (3) and 42.2 (3)°, respectively. Each i-pro-pyim ligand binds two symmetry-related Ag(+) cations, leading to the formation of 14-membered cyclic dimers, in which the Ag(I) atoms are separated by 6.963 (2) Å for the Ag-A 2-Ag dimer and 7.020 (2) Å for Ag-B 2-Ag. These cyclic dimers are alternately connected to each other by sharing Ag(I) atoms, resulting in the formation of a looped-chain structure extending along the [100] direction. Moreover, adjacent looped chains are connected by inter-molecular π-π inter-actions [centroid-to-centroid distance = 3.689 (4) Å], giving rise to the formation of a two-dimensional supra-molecular network propagating parallel to (110). Several inter-molecular C-H⋯O and O-H⋯O hydrogen bonds further contribute to the stabilization of the crystal structure.

  13. Crystal structure of a one-dimensional looped-chain silver(I) coordination polymer: catena-poly[[silver(I)-bis-{μ-4-[1-(5'-isopropyl-[1,1':3',1''-terphen-yl]-2'-yl)-1H-imidazol-2-yl]pyridine-κ(2) N:N'}] nitrate methanol monosolvate monohydrate].

    PubMed

    Moon, Suk-Hee; Park, Ki-Min; Kang, Youngjin

    2016-07-01

    In the title compound, {[Ag(C29H25N3)2]NO3·CH3OH·H2O} n , the Ag(I) cation is four-coordinated by two pyridine N atoms and two imidazole N atoms from four individual 4-(1-(5'-isopropyl-[1,1':3',1''-terphen-yl]-2'-yl)-1H-imidazol-2-yl)pyridine (i-pro-pyim) ligands. This gives rise to a highly distorted tetra-hedral geometry with bond angles falling in the range 100.33 (19)-122.76 (19)°. Two crystallographically independent i-pro-pyim ligands (A and B) adopt very similar conformations to one another, such that the dihedral angles between the pyridyl and imidazolyl rings in the two ligands are 40.7 (3) and 42.2 (3)°, respectively. Each i-pro-pyim ligand binds two symmetry-related Ag(+) cations, leading to the formation of 14-membered cyclic dimers, in which the Ag(I) atoms are separated by 6.963 (2) Å for the Ag-A 2-Ag dimer and 7.020 (2) Å for Ag-B 2-Ag. These cyclic dimers are alternately connected to each other by sharing Ag(I) atoms, resulting in the formation of a looped-chain structure extending along the [100] direction. Moreover, adjacent looped chains are connected by inter-molecular π-π inter-actions [centroid-to-centroid distance = 3.689 (4) Å], giving rise to the formation of a two-dimensional supra-molecular network propagating parallel to (110). Several inter-molecular C-H⋯O and O-H⋯O hydrogen bonds further contribute to the stabilization of the crystal structure. PMID:27555943

  14. Crystal structure of a one-dimensional looped-chain silver(I) coordination polymer: catena-poly[[silver(I)-bis­{μ-4-[1-(5′-isopropyl-[1,1′:3′,1′′-terphen­yl]-2′-yl)-1H-imidazol-2-yl]pyridine-κ2 N:N′}] nitrate methanol monosolvate monohydrate

    PubMed Central

    Moon, Suk-Hee; Park, Ki-Min; Kang, Youngjin

    2016-01-01

    In the title compound, {[Ag(C29H25N3)2]NO3·CH3OH·H2O}n, the AgI cation is four-coordinated by two pyridine N atoms and two imidazole N atoms from four individual 4-(1-(5′-isopropyl-[1,1′:3′,1′′-terphen­yl]-2′-yl)-1H-imidazol-2-yl)pyridine (i-pro-pyim) ligands. This gives rise to a highly distorted tetra­hedral geometry with bond angles falling in the range 100.33 (19)–122.76 (19)°. Two crystallographically independent i-pro-pyim ligands (A and B) adopt very similar conformations to one another, such that the dihedral angles between the pyridyl and imidazolyl rings in the two ligands are 40.7 (3) and 42.2 (3)°, respectively. Each i-pro-pyim ligand binds two symmetry-related Ag+ cations, leading to the formation of 14-membered cyclic dimers, in which the AgI atoms are separated by 6.963 (2) Å for the Ag–A 2–Ag dimer and 7.020 (2) Å for Ag–B 2–Ag. These cyclic dimers are alternately connected to each other by sharing AgI atoms, resulting in the formation of a looped-chain structure extending along the [100] direction. Moreover, adjacent looped chains are connected by inter­molecular π–π inter­actions [centroid-to-centroid distance = 3.689 (4) Å], giving rise to the formation of a two-dimensional supra­molecular network propagating parallel to (110). Several inter­molecular C—H⋯O and O—H⋯O hydrogen bonds further contribute to the stabilization of the crystal structure. PMID:27555943

  15. A Coordination Chemistry Approach for Lithium-Ion Batteries: The Coexistence of Metal and Ligand Redox Activities in a One-Dimensional Metal-Organic Material.

    PubMed

    Li, Gaihua; Yang, Hao; Li, Fengcai; Cheng, Fangyi; Shi, Wei; Chen, Jun; Cheng, Peng

    2016-05-16

    We demonstrate herein the use of a one-dimensional metal-organic material as a new type of electrode material for lithium-ion batteries (LIBs) in place of the classic porous three-dimensional materials, which are subject to the size of the channel for lithium-ion diffusion and blocking of the windows of the framework by organic solvents during the charging and discharging processes. Introducing a one-dimensional coordination compound can keep organic active substances insoluble in the electrolyte during the charging and discharging processes, providing a facile and general new system for further studies. The results show that both the aromatic ligand and the metal center can participate in lithium storage simultaneously, illustrating a new energy storage mechanism that has been well-characterized by X-ray photoelectron spectroscopy, electron paramagnetic resonance spectroscopy, and cyclic voltammetry. In addition, the fact that the one-dimensional chains are linked by weak hydrogen bonds rather than strong π-π stacking interactions or covalent bonds is beneficial for the release of capacity entirely without the negative effect of burying the active sites.

  16. Highly efficient semitransparent polymer solar cells with color rendering index approaching 100 using one-dimensional photonic crystal.

    PubMed

    Yu, Wenjuan; Jia, Xu; Long, Yongbing; Shen, Liang; Liu, Yan; Guo, Wenbin; Ruan, Shengping

    2015-05-13

    Window application is the important aim for semitransparent solar cells (STPSC) investigation. Here, we demonstrate a method to achieve significantly improved color rendering index (CRI), depressed chromaticity difference (DC), and enhanced power conversion efficiency (PCE) simultaneously by introducing the one-dimensional photonic crystals (1DPCs) Bragg reflector structure onto the STPSC. The device performance is studied from aspects of color perception, electrical properties, and theoretical optical simulations. The STPSCs exhibit achromatic transparency nature color perceptions, especially for the STPSCs with 1DPCs (pairs ≥ 3) under AM 1.5G illumination light source, standard illuminant D65, and standard illuminant A. The excellent CRI is approaching 97 with lower DC about 0.0013 for the device with 5 pairs of 1DPC illumined by AM 1.5G illumination light source. At the same time, the PCE of STPSC devices with 5 pairs of 1DPC was improved from 4.87 ± 0.14% to 5.31 ± 0.13% compared to without. This method provides a facilitative approach to realizing excellent SPTSC window application.

  17. Anomaly in the electric resistivity of one-dimensional uneven peanut-shaped C{sub 60} polymer film at a low temperature

    SciTech Connect

    Ryuzaki, Soh; Onoe, Jun

    2014-03-17

    We performed in situ four-probe measurements of the current-voltage characteristics of one-dimensional (1D) uneven peanut-shaped C{sub 60} polymer films in the temperature range 30–350 K under ultrahigh vacuum conditions (2 × 10{sup −7} Pa). Arrhenius plots of the film resistance with respect to temperature showed two different electron-conduction mechanisms. While electrons are conducted via a thermal excitation hopping at temperatures above 160 K, the resistivity of the 1D polymer film exhibits an anomalous behavior that becomes fluctuated at a given value in the temperature range 40–90 K and decreases at temperatures below 40 K.

  18. Synthesis of one-dimensional Schiff base polymers that contain an oligothiophene building block on the graphite surface.

    PubMed

    Sun, Xiu-Ling; Fan, Li-Xia; Yang, Yong-Jing; Guo, Zongxia; Tian, Wei Quan; Lei, Shengbin

    2015-04-27

    Surface-mediated Schiff base coupling reactions between oligothiophenes equipped with an aldehyde group and aromatic diamines were investigated on highly oriented pyrolytic graphite (HOPG) by means of scanning tunneling microscopy (STM) under ambient conditions. To investigate the evolution process from monomers to resultant polymers and the mechanism of reactions, we controlled the ratio of precursors and the reactive temperature, and we obtained high-resolution STM images of different stages of the surface reaction. The results suggest that preferential adsorption of one kind of monomer has a great influence on the on-surface Schiff base reaction. PMID:25778105

  19. Porphyrin coordination polymer nanospheres and nanorods

    DOEpatents

    Wang, Zhongchun; Shelnutt, John A.; Medforth, Craig J.

    2012-12-04

    A porphyrin coordination polymer nanostructure comprising a network of pyridyl porphyrin molecules and coordinating metal ions coordinatively bound through the pyridyl groups. In some embodiments, the porphyrins are metalloporphyrins. A variety of nanostructures are formed by the network polymer, including nanospheres, polygonal nanostructures, nanorods, and nanofibers, depending on a variety of factors including coordination metal ion, porphyrin type, metal of the metalloporphyrin, and degree of agitation during nanostructure formation. Reduction of coordinating metal ions may be used to form metal nanoparticles on the coordination polymer nanostructure.

  20. Porphyrin coordination polymer nanospheres and nanorods

    DOEpatents

    Wang, Zhongchun; Shelnutt, John A.; Medforth, Craig J.

    2013-09-10

    A porphyrin coordination polymer nanostructure comprising a network of pyridyl porphyrin molecules and coordinating metal ions coordinatively bound through the pyridyl groups. In some embodiments, the porphyrins are metalloporphyrins. A variety of nanostructures are formed by the network polymer, including nanospheres, polygonal nanostructures, nanorods, and nanofibers, depending on a variety of factors including coordination metal ion, porphyrin type, metal of the metalloporphyrin, and degree of agitation during nanostructure formation. Reduction of coordinating metal ions may be used to form metal nanoparticles on the coordination polymer nanostructure.

  1. In situ infrared spectroscopic and density-functional studies of the cross-linked structure of one-dimensional C{sub 60} polymer

    SciTech Connect

    Takashima, A.; Onoe, J.; Nishii, T.

    2010-08-15

    We have examined the infrared (IR) spectra of electron-beam (EB) irradiated C{sub 60} films, using in situ IR spectroscopy in the temperature range of 60-300 K. The irradiation-time evolution of the IR spectra shows that two highly intense new peaks finally appear around 565 and 1340 cm{sup -1} when the EB-induced C{sub 60} polymerization was saturated. To determine the cross-linked structure of the polymer explicitly, we have compared the IR spectra with theoretical spectra obtained from the cross-linked structure of all C{sub 120} stable isomers derived from the general Stone-Wales (GSW) rearrangement, using first-principles density-functional calculations. Since each C{sub 120} isomer has the same cross-linked structure as that of its corresponding one-dimensional (1D) C{sub 60} polymer, the IR modes obtained from the cross-linked structure of C{sub 120} are close to those obtained from the corresponding 1D polymer. Comparison between the experimental and theoretical IR spectra suggests that the 1D peanut-shaped C{sub 60} polymer has a cross-linked structure roughly similar to that of the P08 peanut-shaped C{sub 120} isomer.

  2. Designer coordination polymers: dimensional crossover architectures and proton conduction.

    PubMed

    Yamada, Teppei; Otsubo, Kazuya; Makiura, Rie; Kitagawa, Hiroshi

    2013-08-21

    Coordination polymers (CPs) have large degrees of freedom in framework compositions and in the structures and environment of the inner pores. This review focuses on the recent significant progress achieved by controlling these degrees of freedom. Two breakthroughs are reviewed for constructing sophisticated structures of CP frameworks, especially in dimensional crossover regions. The first is the synthesis of quasi one-dimensional halogen-bridged coordinative tubes by applying state-of-the-art techniques of coordination chemistry. The electronic state of the coordinative tube was studied by structural, spectroscopic and theoretical methods and found to be distinct from conventional one-dimensional systems. The second breakthrough is the achievement of a quasi-two-dimensional architecture by combining Langmuir-Blodgett and layer-by-layer methods. Two-dimensional LB CP films were prepared on liquid; the films were stacked layer by layer, and a crystalline quasi-two-dimensional structure was constructed. This review also covers the design of the environment of the inner pore, where hydrogen bond networks with various acidic sites were modified. By appropriate design of the hydrogen bond network, proton-conductive CPs are invented, which are summarized in this review. Types of proton donor sites are discussed and classified, and superprotonic conductive CPs were achieved in these investigations. These results will provide new strategies for constructing functional materials for smart devices.

  3. Adsorption Kinetics in Nanoscale Porous Coordination Polymers

    SciTech Connect

    Nune, Satish K.; Thallapally, Praveen K.; McGrail, Benard Peter; Annapureddy, Harsha V. R.; Dang, Liem X.; Mei, Donghai; Karri, Naveen; Alvine, Kyle J.; Olszta, Matthew J.; Arey, Bruce W.; Dohnalkova, Alice

    2015-10-07

    Nanoscale porous coordination polymers were synthesized using simple wet chemical method. The effect of various polymer surfactants on colloidal stability and shape selectivity was investigated. Our results suggest that the nanoparticles exhibited significantly improved adsorption kinetics compared to bulk crystals due to decreased diffusion path lengths and preferred crystal plane interaction.

  4. One-dimensional turbulence

    SciTech Connect

    Kerstein, A.R.

    1996-12-31

    One-Dimensional Turbulence is a new turbulence modeling strategy involving an unsteady simulation implemented in one spatial dimension. In one dimension, fine scale viscous and molecular-diffusive processes can be resolved affordably in simulations at high turbulence intensity. The mechanistic distinction between advective and molecular processes is thereby preserved, in contrast to turbulence models presently employed. A stochastic process consisting of mapping {open_quote}events{close_quote} applied to a one-dimensional velocity profile represents turbulent advection. The local event rate for given eddy size is proportional to the velocity difference across the eddy. These properties cause an imposed shear to induce an eddy cascade analogous in many respects to the eddy cascade in turbulent flow. Many scaling and fluctuation properties of self-preserving flows, and of passive scalars introduced into these flows, are reproduced.

  5. A three-dimensional microporous coordination polymer with fluorescent property

    NASA Astrophysics Data System (ADS)

    Gao, Chaoying; Liu, Shuxia; Xie, Linhua; Ren, Yuanhang; Cao, Ruige; Cao, Jianfang; Zhao, Xinyu

    2008-11-01

    A microporous metal-organic coordination polymer formulated as [Cd 2(btec)(H 2O) 2]·0.8DMF (1), where btec = 1,2,4,5-benzenetetracarboxylate and DMF = N, N-dimethylformamide, has been isolated under solvothermal condition and characterized by elemental analyses, IR, thermal stability analysis, fluorescent spectrum, and single-crystal X-ray diffraction analysis. The framework in 1 possesses a three-dimensional architecture with ordered one-dimensional rhombus channels, the dimensions of channels are approximately 10 Å at the widest and 3 Å at the narrowest spacing considering the van der Waal radii of atoms in the framework running along the a-axis. Furthermore, compound 1 shows intense photoluminescent property at room temperature.

  6. Transition-Path Probability as a Test of Reaction-Coordinate Quality Reveals DNA Hairpin Folding Is a One-Dimensional Diffusive Process.

    PubMed

    Neupane, Krishna; Manuel, Ajay P; Lambert, John; Woodside, Michael T

    2015-03-19

    Chemical reactions are typically described in terms of progress along a reaction coordinate. However, the quality of reaction coordinates for describing reaction dynamics is seldom tested experimentally. We applied a framework for gauging reaction-coordinate quality based on transition-path analysis to experimental data for the first time, looking at folding trajectories of single DNA hairpin molecules measured under tension applied by optical tweezers. The conditional probability for being on a reactive transition path was compared with the probability expected for ideal diffusion over a 1D energy landscape based on the committor function. Analyzing measurements and simulations of hairpin folding where end-to-end extension is the reaction coordinate, after accounting for instrumental effects on the analysis, we found good agreement between transition-path and committor analyses for model two-state hairpins, demonstrating that folding is well-described by 1D diffusion. This work establishes transition-path analysis as a powerful new tool for testing experimental reaction-coordinate quality.

  7. One-Dimensionality and Whiteness

    ERIC Educational Resources Information Center

    Calderon, Dolores

    2006-01-01

    This article is a theoretical discussion that links Marcuse's concept of one-dimensional society and the Great Refusal with critical race theory in order to achieve a more robust interrogation of whiteness. The author argues that in the context of the United States, the one-dimensionality that Marcuse condemns in "One-Dimensional Man" is best…

  8. Room temperature synthesis of a Zn(II) metal-organic coordination polymer for dye removal

    NASA Astrophysics Data System (ADS)

    Abbasi, Alireza; Gharib, Maniya; Najafi, Mahnaz; Janczak, Jan

    2016-03-01

    A new one-dimensional (1D) coordination polymer, [Zn(4,4‧-bpy)(H2O)4](ADC)·4H2O (1) (4,4‧-bpy=4,4‧-bipyridine and H2ADC=acetylenedicarboxylic acid), was synthesized at room temperature. The crystal structure of the coordination polymer was determined by single-crystal X-ray diffraction analysis. Compound 1 was also characterized by FT-IR, powder X-ray diffraction (PXRD) and thermogravimetric analysis (TGA). The catalytic activity of 1 was evaluated in the color removal of Bismarck brown as a representative of dye pollutant in water under mild conditions. Coordination polymer 1 exhibited good catalytic activity and stability in the decolorization of Bismarck brown and could be easily recovered and reused for at least three cycles.

  9. Nanometrization of Lanthanide-Based Coordination Polymers.

    PubMed

    Neaime, Chrystelle; Daiguebonne, Carole; Calvez, Guillaume; Freslon, Stéphane; Bernot, Kevin; Grasset, Fabien; Cordier, Stéphane; Guillou, Olivier

    2015-11-23

    Heteronuclear lanthanide-based coordination polymers are microcrystalline powders, the luminescence properties of which can be precisely tuned by judicious choice of the rare-earth ions. In this study, we demonstrate that such materials can also be obtained as stable solutions of nanoparticles in non-toxic polyols. Bulk powders of the formula [Ln2-2x Ln'2x (bdc)3 ⋅4 H2 O]∞ (where H2 bdc denotes 1,4-benzene-dicarboxylic acid, 0≤x≤1, and Ln and Ln' denote lanthanide ions of the series La to Tm plus Y) afford nanoparticles that have been characterized by dynamic light-scattering (DLS) and transmission electron microscopy (TEM) measurements. Their luminescence properties are similar to those of the bulk materials. Stabilities versus time and versus dilution with another solvent have been studied. This study has revealed that it is possible to tune the size of the nanoparticles. This process offers a reliable means of synthesizing suspensions of nanoparticles with tunable luminescence properties and tunable size distributions in a green solvent (glycerol). The process is also extendable to other coordination polymers and other solvents (ethylene glycol, for example). It constitutes a new route for the facile solubilization of lanthanide-based coordination polymers. PMID:26471940

  10. Nanometrization of Lanthanide-Based Coordination Polymers.

    PubMed

    Neaime, Chrystelle; Daiguebonne, Carole; Calvez, Guillaume; Freslon, Stéphane; Bernot, Kevin; Grasset, Fabien; Cordier, Stéphane; Guillou, Olivier

    2015-11-23

    Heteronuclear lanthanide-based coordination polymers are microcrystalline powders, the luminescence properties of which can be precisely tuned by judicious choice of the rare-earth ions. In this study, we demonstrate that such materials can also be obtained as stable solutions of nanoparticles in non-toxic polyols. Bulk powders of the formula [Ln2-2x Ln'2x (bdc)3 ⋅4 H2 O]∞ (where H2 bdc denotes 1,4-benzene-dicarboxylic acid, 0≤x≤1, and Ln and Ln' denote lanthanide ions of the series La to Tm plus Y) afford nanoparticles that have been characterized by dynamic light-scattering (DLS) and transmission electron microscopy (TEM) measurements. Their luminescence properties are similar to those of the bulk materials. Stabilities versus time and versus dilution with another solvent have been studied. This study has revealed that it is possible to tune the size of the nanoparticles. This process offers a reliable means of synthesizing suspensions of nanoparticles with tunable luminescence properties and tunable size distributions in a green solvent (glycerol). The process is also extendable to other coordination polymers and other solvents (ethylene glycol, for example). It constitutes a new route for the facile solubilization of lanthanide-based coordination polymers.

  11. Inorganic nanoparticles in porous coordination polymers.

    PubMed

    Kim, Cho Rong; Uemura, Takashi; Kitagawa, Susumu

    2016-07-21

    Porous coordination polymers (PCPs) have been recently highlighted because of their high synthetic designability in structure and functions. Because of their ordered nanoporous structures with a large surface area and tunable pore surface functionality, PCPs have emerged as a significant class of nanoporous materials with potential applications in gas storage, separation, catalysis, and chemical sensing. Recent research has shown the utility of PCPs as host materials for the confinement of nanoparticles of inorganic polymers (IPs), such as metals, metal oxides, and metal chalcogenides. The fabrication of IP nanoparticles in PCPs (PCP⊃IP) has been studied for manifesting specific nanosized-dependent properties and host-guest synergistic functions. In this review, we describe the recent progress in the accommodation of IPs in the nanochannels of PCPs and the remarkable functions of the composite materials. PMID:27051891

  12. Unprecedented layered coordination polymers of dithiolene group 10 metals: magnetic and electrical properties.

    PubMed

    Delgado, Esther; Gómez-García, Carlos J; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix

    2016-04-21

    One-pot reactions between Ni(ii), Pd(ii) or Pt(ii) salts and 3,6-dichloro-1,2-benzenedithiol (HSC6H2Cl2SH) in KOH medium under argon lead to a series of bis-dithiolene coordination polymers. X-ray analysis shows the presence of a common square planar complex [M(SC6H2Cl2S)2](2-) linked to potassium cations forming either a two-dimensional coordination polymer network for {[K2(μ-H2O)2(μ-thf)(thf)2][M(SC6H2Cl2S)2]}n [M = Ni () and Pd ()] or a one-dimensional coordination polymer for {[K2(μ-H2O)2(thf)6][Pt(SC6H2Cl2S)2]}n (). In the coordination environment of the potassium ions may slightly change leading to the two-dimensional coordination polymer {[K2(μ-H2O)(μ-thf)2][Pt(SC6H2Cl2S)2]}n () that crystallizes together with . The physical characterization of compounds show similar trends, they are diamagnetic and behave as semiconductors. PMID:26974399

  13. Self-consistent field theory of tethered polymers: One dimensional, three dimensional, strong stretching theories and the effects of excluded-volume-only interactions

    SciTech Connect

    Suo, Tongchuan Whitmore, Mark D.

    2014-11-28

    We examine end-tethered polymers in good solvents, using one- and three-dimensional self-consistent field theory, and strong stretching theories. We also discuss different tethering scenarios, namely, mobile tethers, fixed but random ones, and fixed but ordered ones, and the effects and important limitations of including only binary interactions (excluded volume terms). We find that there is a “mushroom” regime in which the layer thickness is independent of the tethering density, σ, for systems with ordered tethers, but we argue that there is no such plateau for mobile or disordered anchors, nor is there one in the 1D theory. In the other limit of brushes, all approaches predict that the layer thickness scales linearly with N. However, the σ{sup 1/3} scaling is a result of keeping only excluded volume interactions: when the full potential is included, the dependence is faster and more complicated than σ{sup 1/3}. In fact, there does not appear to be any regime in which the layer thickness scales in the combination Nσ{sup 1/3}. We also compare the results for two different solvents with each other, and with earlier Θ solvent results.

  14. Controlled isotropic or anisotropic nanoscale growth of coordination polymers: formation of hybrid coordination polymer particles.

    PubMed

    Lee, Hee Jung; Cho, Yea Jin; Cho, Won; Oh, Moonhyun

    2013-01-22

    The ability to fabricate multicompositional hybrid materials in a precise and controlled manner is one of the primary goals of modern materials science research. In addition, an understanding of the phenomena associated with the systematic growth of one material on another can facilitate the evolution of multifunctional hybrid materials. Here, we demonstrate precise manipulation of the isotropic and/or anisotropic nanoscale growth of various coordination polymers (CPs) to obtain heterocompositional hybrid coordination polymer particles. Chemical composition analyses conducted at every growth step reveal the formation of accurately assembled hybrid nanoscale CPs, and microscopy images are used to examine the morphology of the particles and visualize the hybrid structures. The dissimilar growth behavior, that is, growth in an isotropic or anisotropic fashion, is found to be dependent on the size of the metal ions involved within the CPs.

  15. A one-dimensional CdII coordination polymer constructed from 4-(dimethylamino)pyridinium-1-acetate ligands and thiocyanate coordination bridges.

    PubMed

    Wang, Hui-Ting; Zhou, Lin

    2015-07-01

    A new cadmium-thiocyanate complex, namely catena-poly[1-carboxymethyl-4-(dimethylamino)pyridinium [cadmium(II)-tri-μ-thiocyanato-κ(4)N:S;κ(2)S:N] [[[4-(dimethylamino)pyridinium-1-acetate-κ(2)O,O']cadmium(II)]-di-μ-thiocyanato-κ(2)N:S;κ(2)S:N

  16. Syntheses, structural analyses and luminescent property of four alkaline-earth coordination polymers

    SciTech Connect

    Zhang, Sheng; Qu, Xiao-Ni; Xie, Gang; Wei, Qing; Chen, San-Ping

    2014-02-15

    Four alkaline-earth coordination polymers, [Ba(Pzdc)(H{sub 2}O)]{sub n} (1), [Ba(Pzdc)]{sub n} (2), [AgSr(Pzdc)(NO{sub 3})(H{sub 2}O)]{sub n} (3), [Ag{sub 2}Ca(Pzdc){sub 2}(H{sub 2}O)]{sub n} (4) (H{sub 2}Pzdc=2, 3-pyrazinedicarboxylic acid) have been synthesized and characterized by single-crystal X-ray diffraction. Compounds 1 and 2 afford 2D layer networks generated by one-dimensional chains containing the [Ba{sub 2}O{sub 11}N] units. Compound 3 is of 2D mixed-metal coordination network formed by one-dimensional chain units, while 4 is of a 3D heterometallic framework. Interestingly, 1 and 2 can undergo reversible SCSC structural transformation upon dehydration/rehydration of coordinated water molecules. In addition, the π–π stacking interactions dominate fluorescent properties of compounds 1 and 2. - Graphical abstract: Four new coordination polymers [Ba(Pzdc)(H{sub 2}O)]{sub n} (1), [Ba(Pzdc)]{sub n} (2), [AgSr(Pzdc)(NO{sub 3})(H{sub 2}O)]{sub n} (3), [Ag{sub 2}Ca(Pzdc){sub 2}(H{sub 2}O)]{sub n} (4) (H{sub 2}Pzdc=2, 3-pyrazinedicarboxylic acid) have been synthesized. Compounds 1–3 display 2D topology structures and compound 4 exhibits a 3D topology structure. Fortunately, 1 and 2 undergo reversible dehydration/rehydration of coordinated water molecules. Display Omitted - Highlights: • All structures are generated by 1D chains. • 1 and 2 show reversible dehydration/rehydration of coordinated water molecules. • The π–π stacking interactions dominate fluorescent properties of compounds 1 and 2.

  17. Antibacterial activity of silver camphorimine coordination polymers.

    PubMed

    Cardoso, João M S; Galvão, Adelino M; Guerreiro, Soraia I; Leitão, Jorge H; Suarez, Ana C; Carvalho, M Fernanda N N

    2016-04-28

    Five new silver camphorimine complexes of general formula [Ag(NO3)(Y)L] were synthesized and fully characterized using spectroscopic and analytical techniques. The structure of [Ag(NO3)(OC10H14NC6H4NC10H14O)] () was analyzed using single crystal X-ray diffraction, showing that it arranges as a coordination polymer formed by sequential Ag(NO3) units bridged by the bi-camphor ligand (). The antimicrobial properties of the new complexes were screened using the disk diffusion method and their Minimal Inhibitory Concentrations (MIC) were assessed against selected bacterial strains of the Gram-positive Staphylococcus aureus and the Gram-negative Escherichia coli, Pseudomonas aeruginosa, and Burkholderia contaminans. The lowest MICs were observed for , with estimated values of 72, 20, 32 and 19 μg mL(-1) for S. aureus, E. coli, B. contaminans, and P. aeruginosa, respectively. In the case of S. aureus, similar MIC values were obtained for silver nitrate and compound . All five compounds were bactericidal when used in concentrations equal or above the MIC value, as found by enumerating the total colony forming units (CFUs) after incubation in their presence. PMID:27007331

  18. From discrete molecule, to polymer, to MOF: mapping the coordination chemistry of Cd(II) using (113)Cd solid-state NMR.

    PubMed

    Frost, Jamie M; Kobera, Libor; Pialat, Amélie; Zhang, Yixin; Southern, Scott A; Gabidullin, Bulat; Bryce, David L; Murugesu, Muralee

    2016-08-23

    Studies of three related Cd(II) systems (a discrete [Cd(II)2] unit, a one-dimensional [Cd(II)2]n coordination polymer and a Cd(II)-based MOF) all derived from the ligand 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine, reveal an exceptionally rare example of (113)Cd-(113)Cd J coupling in the polymer that is detectable by solid-state NMR ((2)JCd-Cd = ∼65 Hz). PMID:27507123

  19. From discrete molecule, to polymer, to MOF: mapping the coordination chemistry of Cd(II) using (113)Cd solid-state NMR.

    PubMed

    Frost, Jamie M; Kobera, Libor; Pialat, Amélie; Zhang, Yixin; Southern, Scott A; Gabidullin, Bulat; Bryce, David L; Murugesu, Muralee

    2016-08-23

    Studies of three related Cd(II) systems (a discrete [Cd(II)2] unit, a one-dimensional [Cd(II)2]n coordination polymer and a Cd(II)-based MOF) all derived from the ligand 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine, reveal an exceptionally rare example of (113)Cd-(113)Cd J coupling in the polymer that is detectable by solid-state NMR ((2)JCd-Cd = ∼65 Hz).

  20. One-Dimensional Heat Conduction

    SciTech Connect

    Sutton, Steven B.

    1992-03-09

    ICARUS-LLNL was developed to solve one-dimensional planar, cylindrical, or spherical conduction heat transfer problems. The IBM PC version is a family of programs including ICARUSB, an interactive BASIC heat conduction program; ICARUSF, a FORTRAN heat conduction program; PREICAR, a BASIC preprocessor for ICARUSF; and PLOTIC and CPLOTIC, interpretive BASIC and compiler BASIC plot postprocessor programs. Both ICARUSB and ICARUSF account for multiple material regions and complex boundary conditions, such as convection or radiation. In addition, ICARUSF accounts for temperature-dependent material properties and time or temperature-dependent boundary conditions. PREICAR is a user-friendly preprocessor used to generate or modify ICARUSF input data. PLOTIC and CPLOTIC generate plots of the temperature or heat flux profile at specified times, plots of the variation of temperature or heat flux with time at selected nodes, or plots of the solution grid. First developed in 1974 to allow easy modeling of complex one-dimensional systems, its original application was in the nuclear explosive testing program. Since then it has undergone extensive revision and been applied to problems dealing with laser fusion target fabrication, heat loads on underground tests, magnetic fusion switching tube anodes, and nuclear waste isolation canisters.

  1. One-Dimensional Heat Conduction

    1992-03-09

    ICARUS-LLNL was developed to solve one-dimensional planar, cylindrical, or spherical conduction heat transfer problems. The IBM PC version is a family of programs including ICARUSB, an interactive BASIC heat conduction program; ICARUSF, a FORTRAN heat conduction program; PREICAR, a BASIC preprocessor for ICARUSF; and PLOTIC and CPLOTIC, interpretive BASIC and compiler BASIC plot postprocessor programs. Both ICARUSB and ICARUSF account for multiple material regions and complex boundary conditions, such as convection or radiation. In addition,more » ICARUSF accounts for temperature-dependent material properties and time or temperature-dependent boundary conditions. PREICAR is a user-friendly preprocessor used to generate or modify ICARUSF input data. PLOTIC and CPLOTIC generate plots of the temperature or heat flux profile at specified times, plots of the variation of temperature or heat flux with time at selected nodes, or plots of the solution grid. First developed in 1974 to allow easy modeling of complex one-dimensional systems, its original application was in the nuclear explosive testing program. Since then it has undergone extensive revision and been applied to problems dealing with laser fusion target fabrication, heat loads on underground tests, magnetic fusion switching tube anodes, and nuclear waste isolation canisters.« less

  2. Crystal structures and luminescent properties of lanthanide nitrate coordination polymers with structurally related amide type bridging podands

    SciTech Connect

    Wang, Qing; Yan, Xuhuan; Zhang, Hongrui; Liu, Weisheng; Tang, Yu; Tan, Minyu

    2011-01-15

    A one-dimensional linear chain coordination polymer [ErL{sup I}(NO{sub 3}){sub 3}(CH{sub 3}CO{sub 2}Et)]{sub n} (L{sup I}=1,2-bis{l_brace}[(2'-furfurylaminoformyl)phenoxyl]methyl{r_brace}benzene) and a one-dimensional zig-zag coordination polymer {l_brace}[TbL{sup II}(NO{sub 3}){sub 3}(H{sub 2}O)].(H{sub 2}O){r_brace}{sub n} (L{sup II}=1,2-bis{l_brace}[2'-(2-pyridylmethylaminoformyl)phenoxyl]methyl{r_brace}benzene) were assembled by two structurally related bridging podands L{sup I} and L{sup II} which have uniform skeleton and different terminal groups. In {l_brace}[TbL{sup II}(NO{sub 3}){sub 3}(H{sub 2}O)].(H{sub 2}O){r_brace}{sub n}, the neutral chains were linked by the hydrogen bonding interactions between the free and coordinated water molecules from two different directions to interpenetrate into a 3D supramolecular structure. At the same time, the luminescent properties of the solid Tb(III) nitrate complexes of these podands were investigated at room temperature. The lowest triplet state energy levels T{sub 1} of the podands L{sup I} and L{sup II} indicate that the triplet state energy levels of the antennae are both above the lowest excited resonance level of {sup 5}D{sub 4} of Tb{sup 3+} ion. Thus the absorbed energy could be transferred from ligands to the central Tb{sup 3+} ions. And the influence of the hydrogen bonding on the luminescence efficiencies of the coordination polymers was also discussed. -- Graphical Abstract: Two one-dimensional lanthanide coordination polymers were assembled by two structurally related bridging podands, and the effects of the structures on luminescent properties of the solid Tb(III) nitrate complexes were investigated. Display Omitted Research highlights: > Two structurally related amide type bridging ligands were designed and synthesized. > Two one dimensional lanthanide nitrate coordination polymers were obtained. > The structure effects on luminescent properties of the terbium complexes were discussed.

  3. Photocatalytic activity of PANI loaded coordination polymer composite materials: Photoresponse region extension and quantum yields enhancement via the loading of PANI nanofibers on surface of coordination polymer

    SciTech Connect

    Cui, Zhongping; Qi, Ji; Xu, Xinxin Liu, Lu; Wang, Yi

    2013-09-15

    To enhance photocatalytic property of coordination polymer in visible light region, polyaniline (PANI) loaded coordination polymer photocatalyst was synthesized through in-situ chemical oxidation of aniline on the surface of coordination polymer. The photocatalytic activity of PANI loaded coordination polymer composite material for degradation of Rhodamine B (RhB) was investigated. Compared with pure coordination polymer photocatalyst, which can decompose RhB merely under UV light irradiation, PANI loaded coordination polymer photocatalyst displays more excellent photocatalytic activity in visible light region. Furthermore, PANI loaded coordination polymer photocatalyst exhibits outstanding stability during the degradation of RhB. - Graphical abstract: PANI loaded coordination polymer composite material, which displays excellent photocatalytic activity under visible light was firstly synthesized through in-situ chemical oxidation of aniline on surface of coordination polymer. Display Omitted - Highlights: • This PANI loaded coordination polymer composite material represents the first conductive polymer loaded coordination polymer composite material. • PANI/coordination polymer composite material displays more excellent photocatalytic activity for the degradation of MO in visible light region. • The “combination” of coordination polymer and PANI will enable us to design high-activity, high-stability and visible light driven photocatalyst in the future.

  4. Nanoscale coordination polymers for anticancer drug delivery

    NASA Astrophysics Data System (ADS)

    Phillips, Rachel Huxford

    This dissertation reports the synthesis and characterization of nanoscale coordination polymers (NCPs) for anticancer drug delivery. Nanoparticles have been explored in order to address the limitations of small molecule chemotherapeutics. NCPs have been investigated as drug delivery vehicles as they can exhibit the same beneficial properties as the bulk metal-organic frameworks as well as interesting characteristics that are unique to nanomaterials. Gd-MTX (MTX = methotrexate) NCPs with a MTX loading of 71.6 wt% were synthesized and stabilized by encapsulation within a lipid bilayer containing anisamide (AA), a small molecule that targets sigma receptors which are overexpressed in many cancer tissues. Functionalization with AA allows for targeted delivery and controlled release to cancer cells, as shown by enhanced efficacy against leukemia cells. The NCPs were doped with Ru(bpy)32+ (bpy = 2,2'-bipyridine), and this formulation was utilized as an optical imaging agent by confocal microscopy. NCPs containing the chemotherapeutic pemetrexed (PMX) were synthesized using different binding metals. Zr-based materials could not be stabilized by encapsulation with a lipid bilayer, and Gd-based materials showed that PMX had degraded during synthesis. However, Hf-based NCPs containing 19.7 wt% PMX were stabilized by a lipid coating and showed in vitro efficacy against non-small cell lung cancer (NSCLC) cell lines. Enhanced efficacy was observed for formulations containing AA. Additionally, NCP formulations containing the cisplatin prodrug disuccinatocisplatin were prepared; one of these formulations could be stabilized by encapsulation within a lipid layer. Coating with a lipid layer doped with AA rendered this formulation an active targeting agent. The resulting formulation proved more potent than free cisplatin in NSCLC cell lines. Improved NCP uptake was demonstrated by confocal microscopy and competitive binding assays. Finally, a Pt(IV) oxaliplatin prodrug was

  5. One-dimensional Cooper pairing

    NASA Astrophysics Data System (ADS)

    Mendoza, R.; Fortes, M.; de Llano, M.; Solís, M. A.

    2011-09-01

    We study electron pairing in a one-dimensional (1D) fermion gas at zero temperature under zero- and finite-range, attractive, two-body interactions. The binding energy of Cooper pairs (CPs) with zero total or center-of-mass momentum (CMM) increases with attraction strength and decreases with interaction range for fixed strength. The excitation energy of 1D CPs with nonzero CMM display novel, unique properties. It satisfies a dispersion relation with two branches: a phonon-like linear excitation for small CP CMM; this is followed by roton-like quadratic excitation minimum for CMM greater than twice the Fermi wavenumber, but only above a minimum threshold attraction strength. The expected quadratic-in-CMM dispersion in vacuo when the Fermi wavenumber is set to zero is recovered for any coupling. This paper completes a three-part exploration initiated in 2D and continued in 3D.

  6. One- and three-dimensional silver(I)-5-sulfosalicylate coordination polymers having ligand-supported and unsupported argentophilic interactions

    SciTech Connect

    Arıcı, Mürsel; Yeşilel, Okan Zafer; Yeşilöz, Yeşim; Şahin, Onur

    2014-12-15

    Four new coordination polymers, namely, (Hemim·[Ag(Hssa)(H{sub 2}O)]){sub n} (1), ([Ag(ina){sub 2} Ag(Hssa)]·CH{sub 3}OH·H{sub 2}O){sub n} (2), ([Ag{sub 2}(Hssa)(dmp){sub 1.5}]·2H{sub 2}O){sub n} (3) and [Ag{sub 2}(Hssa)(daoc)]{sub n} (4) (Hssa: 5-Sulfosalicylate, emim: 2-ethyl-4-methylimidazole, ina: isonicotinamide, dmp: 2,5-dimethylpyrazine and daoc: 1,8-diaminooctane) were synthesized and characterized by IR spectroscopy, elemental analysis, single crystal X-ray diffraction, powder X-ray diffraction (PXRD) and thermal analysis techniques. Complexes 1 and 2 are one-dimensional (1D) coordination polymers while complexes 3 and 4 are three-dimensional (3D) coordination polymers. Complex 3 consists of three dimensional (3D) 3,3,6-c net with 3,3,6T37 topology. Complex 4 exhibits a 2-fold interpenetrating 3D framework with tfc topology. Complexes 1–4 contain ligand-supported (1–3) and unsupported (4) argentophilic Ag⋯Ag interactions. Photoluminescence spectra of the complexes demonstrate that photoluminescent properties may be attributed to intraligand transition of coordinated Hssa ligand. - Graphical abstract: In this study, four new Ag(I)-coordination polymers with 5-sulfosalicylate and some N-donor ligands were synthesized and characterized. Complexes 1 and 2 are one-dimensional (1D) coordination polymers while complexes 3 and 4 are three-dimensional (3D) coordination polymers. Complex 3 consists of three dimensional (3D) 3,3,6-c net with 3,3,6T37 topology. Complex 4 exhibits a 2-fold interpenetrating 3D framework with tfc topology. The complexes 1–4 contain ligand-supported (1–3) and unsupported (4) argentophilic Ag⋯Ag interactions. Photoluminescence spectra of the complexes demonstrated that photoluminescent properties may be attributed to intraligand transition of coordinated Hssa ligand. - Highlights: • Four novel Ag(I)-coordination polymers with 5-sulfosalicylate and N-donor ligands. • Complexes 1–4 contain ligand-supported (1–3) and

  7. Preparation of Highly Porous Coordination Polymer Coatings on Macroporous Polymer Monoliths for Enhanced Enrichment of Phosphopeptides.

    PubMed

    Lamprou, Alexandros; Wang, Hongxia; Saeed, Adeela; Svec, Frantisek; Britt, David; Maya, Fernando

    2015-07-14

    We describe a protocol for the preparation of hybrid materials based on highly porous coordination polymer coatings on the internal surface of macroporous polymer monoliths. The developed approach is based on the preparation of a macroporous polymer containing carboxylic acid functional groups and the subsequent step-by-step solution-based controlled growth of a layer of a porous coordination polymer on the surface of the pores of the polymer monolith. The prepared metal-organic polymer hybrid has a high specific micropore surface area. The amount of iron(III) sites is enhanced through metal-organic coordination on the surface of the pores of the functional polymer support. The increase of metal sites is related to the number of iterations of the coating process. The developed preparation scheme is easily adapted to a capillary column format. The functional porous polymer is prepared as a self-contained single-block porous monolith within the capillary, yielding a flow-through separation device with excellent flow permeability and modest back-pressure. The metal-organic polymer hybrid column showed excellent performance for the enrichment of phosphopeptides from digested proteins and their subsequent detection using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry. The presented experimental protocol is highly versatile, and can be easily implemented to different organic polymer supports and coatings with a plethora of porous coordination polymers and metal-organic frameworks for multiple purification and/or separation applications.

  8. Preparation of Highly Porous Coordination Polymer Coatings on Macroporous Polymer Monoliths for Enhanced Enrichment of Phosphopeptides.

    PubMed

    Lamprou, Alexandros; Wang, Hongxia; Saeed, Adeela; Svec, Frantisek; Britt, David; Maya, Fernando

    2015-01-01

    We describe a protocol for the preparation of hybrid materials based on highly porous coordination polymer coatings on the internal surface of macroporous polymer monoliths. The developed approach is based on the preparation of a macroporous polymer containing carboxylic acid functional groups and the subsequent step-by-step solution-based controlled growth of a layer of a porous coordination polymer on the surface of the pores of the polymer monolith. The prepared metal-organic polymer hybrid has a high specific micropore surface area. The amount of iron(III) sites is enhanced through metal-organic coordination on the surface of the pores of the functional polymer support. The increase of metal sites is related to the number of iterations of the coating process. The developed preparation scheme is easily adapted to a capillary column format. The functional porous polymer is prepared as a self-contained single-block porous monolith within the capillary, yielding a flow-through separation device with excellent flow permeability and modest back-pressure. The metal-organic polymer hybrid column showed excellent performance for the enrichment of phosphopeptides from digested proteins and their subsequent detection using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry. The presented experimental protocol is highly versatile, and can be easily implemented to different organic polymer supports and coatings with a plethora of porous coordination polymers and metal-organic frameworks for multiple purification and/or separation applications. PMID:26273850

  9. The one-dimensional hydrogen atom revisited

    NASA Astrophysics Data System (ADS)

    Palma, G.; Raff, U.

    2006-09-01

    The one-dimensional Schrodinger hydrogen atom is an interesting mathematical and physical problem for the study of bound states, eigenfunctions, and quantum-degeneracy issues. This one-dimensional physical system has given rise to some intriguing controversy for more than four decades. Presently, still no definite consensus seems to have been reached. We reanalyzed this apparently controversial problem, approaching it from a Fourier-transform representation method combined with some fundamental (basic) ideas found in self-adjoint extensions of symmetric operators. In disagreement with some previous claims, we found that the complete Balmer energy spectrum is obtained together with an odd-parity set of eigenfunctions. Closed-form solutions in both coordinate and momentum spaces were obtained. No twofold degeneracy was observed as predicted by the degeneracy theorem in one dimension, though it does not necessarily have to hold for potentials with singularities. No ground state with infinite energy exists since the corresponding eigenfunction does not satisfy the Schrodinger equation at the origin.

  10. Mixing of immiscible polymers using nanoporous coordination templates

    PubMed Central

    Uemura, Takashi; Kaseda, Tetsuya; Sasaki, Yotaro; Inukai, Munehiro; Toriyama, Takaaki; Takahara, Atsushi; Jinnai, Hiroshi; Kitagawa, Susumu

    2015-01-01

    The establishment of methodologies for the mixing of immiscible substances is highly desirable to facilitate the development of fundamental science and materials technology. Herein we describe a new protocol for the compatibilization of immiscible polymers at the molecular level using porous coordination polymers (PCPs) as removable templates. In this process, the typical immiscible polymer pair of polystyrene (PSt) and poly(methyl methacrylate) (PMMA) was prepared via the successive homopolymerizations of their monomers in a PCP to distribute the polymers inside the PCP particles. Subsequent dissolution of the PCP frameworks in a chelator solution affords a PSt/PMMA blend that is homogeneous in the range of several nanometers. Due to the unusual compatibilization, the thermal properties of the polymer blend are remarkably improved compared with the conventional solvent-cast blend. This method is also applicable to the compatibilization of PSt and polyacrylonitrile, which have very different solubility parameters. PMID:26130294

  11. Mixing of immiscible polymers using nanoporous coordination templates.

    PubMed

    Uemura, Takashi; Kaseda, Tetsuya; Sasaki, Yotaro; Inukai, Munehiro; Toriyama, Takaaki; Takahara, Atsushi; Jinnai, Hiroshi; Kitagawa, Susumu

    2015-01-01

    The establishment of methodologies for the mixing of immiscible substances is highly desirable to facilitate the development of fundamental science and materials technology. Herein we describe a new protocol for the compatibilization of immiscible polymers at the molecular level using porous coordination polymers (PCPs) as removable templates. In this process, the typical immiscible polymer pair of polystyrene (PSt) and poly(methyl methacrylate) (PMMA) was prepared via the successive homopolymerizations of their monomers in a PCP to distribute the polymers inside the PCP particles. Subsequent dissolution of the PCP frameworks in a chelator solution affords a PSt/PMMA blend that is homogeneous in the range of several nanometers. Due to the unusual compatibilization, the thermal properties of the polymer blend are remarkably improved compared with the conventional solvent-cast blend. This method is also applicable to the compatibilization of PSt and polyacrylonitrile, which have very different solubility parameters. PMID:26130294

  12. Mixing of immiscible polymers using nanoporous coordination templates

    NASA Astrophysics Data System (ADS)

    Uemura, Takashi; Kaseda, Tetsuya; Sasaki, Yotaro; Inukai, Munehiro; Toriyama, Takaaki; Takahara, Atsushi; Jinnai, Hiroshi; Kitagawa, Susumu

    2015-07-01

    The establishment of methodologies for the mixing of immiscible substances is highly desirable to facilitate the development of fundamental science and materials technology. Herein we describe a new protocol for the compatibilization of immiscible polymers at the molecular level using porous coordination polymers (PCPs) as removable templates. In this process, the typical immiscible polymer pair of polystyrene (PSt) and poly(methyl methacrylate) (PMMA) was prepared via the successive homopolymerizations of their monomers in a PCP to distribute the polymers inside the PCP particles. Subsequent dissolution of the PCP frameworks in a chelator solution affords a PSt/PMMA blend that is homogeneous in the range of several nanometers. Due to the unusual compatibilization, the thermal properties of the polymer blend are remarkably improved compared with the conventional solvent-cast blend. This method is also applicable to the compatibilization of PSt and polyacrylonitrile, which have very different solubility parameters.

  13. Mixing of immiscible polymers using nanoporous coordination templates.

    PubMed

    Uemura, Takashi; Kaseda, Tetsuya; Sasaki, Yotaro; Inukai, Munehiro; Toriyama, Takaaki; Takahara, Atsushi; Jinnai, Hiroshi; Kitagawa, Susumu

    2015-01-01

    The establishment of methodologies for the mixing of immiscible substances is highly desirable to facilitate the development of fundamental science and materials technology. Herein we describe a new protocol for the compatibilization of immiscible polymers at the molecular level using porous coordination polymers (PCPs) as removable templates. In this process, the typical immiscible polymer pair of polystyrene (PSt) and poly(methyl methacrylate) (PMMA) was prepared via the successive homopolymerizations of their monomers in a PCP to distribute the polymers inside the PCP particles. Subsequent dissolution of the PCP frameworks in a chelator solution affords a PSt/PMMA blend that is homogeneous in the range of several nanometers. Due to the unusual compatibilization, the thermal properties of the polymer blend are remarkably improved compared with the conventional solvent-cast blend. This method is also applicable to the compatibilization of PSt and polyacrylonitrile, which have very different solubility parameters.

  14. A Zn based coordination polymer exhibiting long-lasting phosphorescence.

    PubMed

    Cepeda, Javier; Sebastian, Eider San; Padro, Daniel; Rodríguez-Diéguez, Antonio; García, Jose A; Ugalde, Jesus M; Seco, Jose M

    2016-07-01

    A new Zn(ii) based coordination polymer (CP) built by the cohesive pilling of 2D Shubnikov type layers is reported. This material exhibits time dependent multicoloured emission, part of which shows a persistent green phosphorescence visible for up to two seconds to the naked eye, which originates from multiple charge transfer mechanisms. PMID:27297330

  15. Zinc oxide nano- and microfabrication from coordination-polymer templates.

    PubMed

    Liu, Xiaogang

    2009-01-01

    Hex nut: An emerging synthetic approach based on metal-organic coordination-polymer templates has been used to fabricate micro- and nanoscale crystals. By using a diverse range of molecular building blocks coupled with conventional synthetic techniques, it is possible to synthesize ZnO crystals with tailored sizes, shapes (such as hexagonal rings; see figure), and surface properties.

  16. Rendering non-energetic microporous coordination polymers explosive.

    PubMed

    McDonald, Kyle A; Bennion, Jonathan C; Leone, Amanda K; Matzger, Adam J

    2016-09-18

    Adsorption of oxidizing guest molecules into a non-energetic microporous coordination polymer produces explosives with desirable oxygen balance, high heat released upon decomposition, and suppressed vapor pressure of the guest. Here, this results in primary explosives, materials very sensitive to impact, that have the potential to be used as replacements for lead-based initiators.

  17. A new redox-active coordination polymer with cobalticinium dicarboxylate.

    PubMed

    Kondo, Mitsuru; Hayakawa, Yuri; Miyazawa, Makoto; Oyama, Aiko; Unoura, Kei; Kawaguchi, Hiroyuki; Naito, Tetsuyoshi; Maeda, Kenji; Uchida, Fumio

    2004-09-20

    A new two-dimensional coordination polymer with cobalticinium 1,1'-dicarboxylate (ccdc) incorporated in the framework has been prepared, the ccdc functioning as unique monoanionic dicarboxylate ligands. The compound shows a high redox activity based on the ccdc units.

  18. Coordination polymer particles as potential drug delivery systems.

    PubMed

    Imaz, Inhar; Rubio-Martínez, Marta; García-Fernández, Lorena; García, Francisca; Ruiz-Molina, Daniel; Hernando, Jordi; Puntes, Victor; Maspoch, Daniel

    2010-07-14

    Micro- and nanoscale coordination polymer particles can be used for encapsulating and delivering drugs. In vitro cancer cell cytotoxicity assays showed that these capsules readily release doxorubicin, which shows anticancer efficacy. The results from this work open up new avenues for metal-organic capsules to be used as potential drug delivery systems.

  19. Strategies, linkers and coordination polymers for high-performance sorbents

    SciTech Connect

    Matzger, Adam J.; Wong-Foy, Antek G.; Lebel, Oliver

    2015-09-15

    A linking ligand compound includes three bidentate chemical moieties distributed about a central chemical moiety. Another linking ligand compound includes a bidentate linking ligand and a monodentate chemical moiety. Coordination polymers include a plurality of metal clusters linked together by residues of the linking ligand compounds.

  20. Coordination polymer particles as potential drug delivery systems.

    PubMed

    Imaz, Inhar; Rubio-Martínez, Marta; García-Fernández, Lorena; García, Francisca; Ruiz-Molina, Daniel; Hernando, Jordi; Puntes, Victor; Maspoch, Daniel

    2010-07-14

    Micro- and nanoscale coordination polymer particles can be used for encapsulating and delivering drugs. In vitro cancer cell cytotoxicity assays showed that these capsules readily release doxorubicin, which shows anticancer efficacy. The results from this work open up new avenues for metal-organic capsules to be used as potential drug delivery systems. PMID:20485835

  1. Rendering non-energetic microporous coordination polymers explosive.

    PubMed

    McDonald, Kyle A; Bennion, Jonathan C; Leone, Amanda K; Matzger, Adam J

    2016-09-18

    Adsorption of oxidizing guest molecules into a non-energetic microporous coordination polymer produces explosives with desirable oxygen balance, high heat released upon decomposition, and suppressed vapor pressure of the guest. Here, this results in primary explosives, materials very sensitive to impact, that have the potential to be used as replacements for lead-based initiators. PMID:27523573

  2. Unusual Transformation from a Solvent-Stabilized 1D Coordination Polymer to a Metal-Organic Framework (MOF)-Like Cross-Linked 3D Coordination Polymer.

    PubMed

    Lee, Seung-Chul; Choi, Eun-Young; Lee, Sang-Beom; Kim, Sang-Wook; Kwon, O-Pil

    2015-10-26

    An unusual 1D-to-3D transformation of a coordination polymer based on organic linkers containing highly polar push-pull π-conjugated side chains is reported. The coordination polymers are synthesized from zinc nitrate and an organic linker, namely, 2,5-bis{4-[1-(4-nitrophenyl)pyrrolidin-2-yl]butoxy}terephthalic acid, which possesses highly polar (4-nitrophenyl)pyrrolidine groups, with high dipole moments of about 7 D. The coordination polymers exhibit an unusual transformation from a soluble, solvent-stabilized 1D coordination polymer into an insoluble, metal-organic framework (MOF)-like 3D coordination polymer. The coordination polymer exhibits good film-forming ability, and the MOF-like films are insoluble in conventional organic solvents.

  3. Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers

    PubMed Central

    Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee

    2015-01-01

    A family of one-dimensional coordination polymers, [Ag4(O2C(CF2)2CF3)4(phenazine)2(arene)n]·m(arene), 1 (arene = toluene or xylene), have been synthesized and crystallographically characterized. Arene guest loss invokes structural transformations to yield a pair of polymorphic coordination polymers [Ag4(O2C(CF2)2CF3)4(phenazine)2], 2a and/or 2b, with one- and two-dimensional architectures, respectively. The role of pre-organization of the polymer chains of 1 in the selectivity for formation of either polymorph is explored, and the templating effect of toluene and p-xylene over o-xylene or m-xylene in the formation of arene-containing architecture 1 is also demonstrated. The formation of arene-free phase 2b, not accessible in a phase-pure form through other means, is shown to be the sole product of loss of toluene from 1-tol·tol [Ag4(O2C(CF2)2CF3)4(phenazine)2(toluene)]·2(toluene), a phase containing toluene coordinated to Ag(I) in an unusual μ:η1,η1 manner. Solvent-vapour-assisted conversion between the polymorphic coordination polymers and solvent-vapour influence on the conversion of coordination polymers 1 to 2a and 2b is also explored. The transformations have been examined and confirmed by X-ray diffraction, NMR spectroscopy and thermal analyses, including in situ diffraction studies of some transformations. PMID:25866656

  4. Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers.

    PubMed

    Wright, James S; Vitórica-Yrezábal, Iñigo J; Adams, Harry; Thompson, Stephen P; Hill, Adrian H; Brammer, Lee

    2015-03-01

    A family of one-dimensional coordination polymers, [Ag4(O2C(CF2)2CF3)4(phenazine)2(arene) n ]·m(arene), 1 (arene = toluene or xylene), have been synthesized and crystallographically characterized. Arene guest loss invokes structural transformations to yield a pair of polymorphic coordination polymers [Ag4(O2C(CF2)2CF3)4(phenazine)2], 2a and/or 2b , with one- and two-dimensional architectures, respectively. The role of pre-organization of the polymer chains of 1 in the selectivity for formation of either polymorph is explored, and the templating effect of toluene and p-xylene over o-xylene or m-xylene in the formation of arene-containing architecture 1 is also demonstrated. The formation of arene-free phase 2b , not accessible in a phase-pure form through other means, is shown to be the sole product of loss of toluene from 1-tol·tol [Ag4(O2C(CF2)2CF3)4(phenazine)2(toluene)]·2(toluene), a phase containing toluene coordinated to Ag(I) in an unusual μ:η(1),η(1) manner. Solvent-vapour-assisted conversion between the polymorphic coordination polymers and solvent-vapour influence on the conversion of coordination polymers 1 to 2a and 2b is also explored. The transformations have been examined and confirmed by X-ray diffraction, NMR spectroscopy and thermal analyses, including in situ diffraction studies of some transformations. PMID:25866656

  5. Lanthanide coordination polymers: Synthesis, diverse structure and luminescence properties

    SciTech Connect

    Song, Xue-Qin Lei, Yao-Kun; Wang, Xiao-Run; Zhao, Meng-Meng; Peng, Yun-Qiao; Cheng, Guo-Quan

    2014-10-15

    The new semirigid exo-bidentate ligand incorporating furfurysalicylamide terminal groups, namely, 1,4-bis([(2′-furfurylaminoformyl)phenoxyl]methyl)-2,5-bismethylbenzene (L) was synthesized and used as building blocks for constructing lanthanide coordination polymers with luminescent properties. The series of lanthanide nitrate complexes have been characterized by elemental analysis, IR spectroscopy, and X-ray diffraction analysis. The semirigid ligand L, as a bridging ligand, reacts with lanthanide nitrates forming three distinct structure types: chiral noninterpenetrated two-dimensional (2D) honeycomblike (6,3) (hcb, Schläfli symbol 6{sup 3}, vertex symbol 6 6 6) topological network as type I, 1D zigzag chain as type II and 1D trapezoid ladder-like chain as type III. The structural diversities indicate that lanthanide contraction effect played significant roles in the structural self-assembled process. The luminescent properties of Eu{sup III}, Tb{sup III} and Dy{sup III} complexes are discussed in detail. Due to the good match between the lowest triplet state of the ligand and the resonant energy level of the lanthanide ion, the lanthanide ions in Eu{sup III}, Tb{sup III} and Dy{sup III} complexes can be efficiently sensitized by the ligand. - Graphical abstract: We present herein six lanthanide coordination polymers of a new semirigid exo-bidentate ligand which not only display diverse structures but also possess strong luminescence properties. - Highlights: • We present lanthanide coordination polymers of a new semirigid exo-bidentate ligand. • The lanthanide coordination polymers exhibit diverse structures. • The luminescent properties of Tb{sup III}, Eu{sup III} and Dy{sup III} complexes are discussed in detail.

  6. Arene Selectivity by a Flexible Coordination Polymer Host.

    PubMed

    Wright, James S; Vitórica-Yrezábal, Iñigo J; Thompson, Stephen P; Brammer, Lee

    2016-09-01

    The coordination polymers [Ag4 (O2 CCF3 )4 (phen)3 ]⋅ phen⋅arene (1⋅phen⋅arene) (phen=phenazine; arene=toluene, p-xylene or benzene) have been synthesised from the solution phase in a series of arene solvents and crystallographically characterised. By contrast, analogous syntheses from o-xylene and m-xylene as the solvent yield the solvent-free coordination polymer [Ag4 (O2 CCF3 )4 (phen)2 ] (2). Toluene, p-xylene and benzene have been successfully used in mixed-arene syntheses to template the formation of coordination polymers 1⋅phen⋅arene, which incorporate o- or m-xylene. The selectivity of 1⋅phen⋅arene for the arene guests was determined, through pairwise competition experiments, to be p-xylene>toluene≈benzene>o-xylene>m-xylene. The largest selectivity coefficient was determined as 14.2 for p-xylene:m-xylene and the smallest was 1.0 for toluene:benzene. PMID:27483388

  7. Arene Selectivity by a Flexible Coordination Polymer Host.

    PubMed

    Wright, James S; Vitórica-Yrezábal, Iñigo J; Thompson, Stephen P; Brammer, Lee

    2016-09-01

    The coordination polymers [Ag4 (O2 CCF3 )4 (phen)3 ]⋅ phen⋅arene (1⋅phen⋅arene) (phen=phenazine; arene=toluene, p-xylene or benzene) have been synthesised from the solution phase in a series of arene solvents and crystallographically characterised. By contrast, analogous syntheses from o-xylene and m-xylene as the solvent yield the solvent-free coordination polymer [Ag4 (O2 CCF3 )4 (phen)2 ] (2). Toluene, p-xylene and benzene have been successfully used in mixed-arene syntheses to template the formation of coordination polymers 1⋅phen⋅arene, which incorporate o- or m-xylene. The selectivity of 1⋅phen⋅arene for the arene guests was determined, through pairwise competition experiments, to be p-xylene>toluene≈benzene>o-xylene>m-xylene. The largest selectivity coefficient was determined as 14.2 for p-xylene:m-xylene and the smallest was 1.0 for toluene:benzene.

  8. Coordination polymers of Ag(I) based on iminocarbene ligands involving metal-carbon and metal-heteroatom interactions

    NASA Astrophysics Data System (ADS)

    Netalkar, Sandeep P.; Netalkar, Priya P.; Revankar, Vidyanand K.

    2016-03-01

    The reaction of Ag2O with three novel imino-NHC ligands derived from 2-chloroacetophenone with pendant N-donor functional group incorporated by reaction with methoxyamine and 1-methyl/ethyl/n-butyl-substituted imidazoles afforded one-dimensional coordination polymers with [(-NHCarbene)Ag(NHCarbene-)PF6]n formulation involving both carbon-metal and heteroatom-metal interactions, the carbon and heteroatom involved in coordination to silver being from different molecule of the ligand. The complexes as well as the ligands were characterized by spectroscopic methods as well as the solid state structures determined in case of 2a, 3a and complex 5. The iminocarbene ligands serve as non-chelating building block for supramolecular silver assemblies.

  9. Reconstruction of the coordinate dependences of quadratic susceptibility tensor hat χ ^{(2)} ( z, ω1 ± ω2; ω1, ±ω2) components for the one-dimensionally inhomogeneous absorbing medium

    NASA Astrophysics Data System (ADS)

    Golubkov, A. A.; Makarov, V. A.

    2012-01-01

    A method for the unambiguous reconstruction of the spatial profiles of all components (except for χ zzz ) of the quadratic susceptibility complex tensor {ie165-2} ( z, ω1 + ω2; ω1, ω2), which is responsible for the sumfrequency generation in a one-dimensionally inhomogeneous plate is proposed and proven for the first time. Such reconstruction is possible if the symmetry of the medium provides the diagonal character of the linear permittivity tensor {ie165-3} ( z, ω). The procedure involves the measurement of the complex amplitude of the new wave with the frequency ω1 + ω2 that is reflected from the plate for a certain interval of the angles of incidence of the wave with the frequency ω2. The reflected wave results from the nonlinear interaction of the wave with frequency ω2 and the wave with frequency ω1 that exhibits the normal incidence. A similar approach can be used to determine the profiles of the components of the quadratic susceptibility tensor {ie165-4}( z, ω1 - ω2; ω1, - ω2), which is responsible for the difference-frequency generation.

  10. Determining the coordinate dependence of some components of the cubic susceptibility tensor {chi}-hat{sub yyyy}{sup (3)}(z, {omega}, -{omega}, {omega}, {omega}) of a one-dimensionally inhomogeneous absorbing plate at an arbitrary frequency dispersion

    SciTech Connect

    Golubkov, A A; Makarov, Vladimir A

    2010-12-29

    The possibility of unique reconstruction of the spatial profile of the cubic nonlinear susceptibility tensor component {chi}-hat{sub yyyy}{sup (3)}(z, {omega}, -{omega}, {omega}, {omega}) of a one-dimensionally inhomogeneous plate whose medium has a symmetry plane m{sub y} perpendicular to its surface is proved for the first time and the unique reconstruction algorithm is proposed. The amplitude complex coefficients of reflection and transmission (measured in some range of angles of incidence) as well as of conversion of an s-polarised plane signal monochromatic wave into two waves propagating on both sides of the plate make it possible to reconstruct the profile. These two waves result from nonlinear interaction of a signal wave with an intense plane wave incident normally on the plate. All the waves under consideration have the same frequency {omega}, and so its variation helps study the frequency dispersion of the cubic nonlinear susceptibility tensor component {chi}-hat{sub yyyy}{sup (3)}(z, {omega}, -{omega}, {omega}, {omega}). For media with additional symmetry axes 2{sub z}, 4{sub z}, 6{sub z}, or {infinity}{sub z} that are perpendicular to the plate surface, the proposed method can be used to reconstruct the profile and to examine the frequency dispersion of about one third of all independent complex components of the tensor {chi}-hat{sup (3)}. (nonlinear-optics phenomena)

  11. One-Dimensional Czedli-Type Islands

    ERIC Educational Resources Information Center

    Horvath, Eszter K.; Mader, Attila; Tepavcevic, Andreja

    2011-01-01

    The notion of an island has surfaced in recent algebra and coding theory research. Discrete versions provide interesting combinatorial problems. This paper presents the one-dimensional case with finitely many heights, a topic convenient for student research.

  12. Stability of complex coacervate core micelles containing metal coordination polymer.

    PubMed

    Yan, Yun; de Keizer, Arie; Cohen Stuart, Martien A; Drechsler, Markus; Besseling, Nicolaas A M

    2008-09-01

    We report on the stability of complex coacervate core micelles, i.e., C3Ms (or PIC, BIC micelles), containing metal coordination polymers. In aqueous solutions these micelles are formed between charged-neutral diblock copolymers and oppositely charged coordination polymers formed from metal ions and bisligand molecules. The influence of added salt, polymer concentration, and charge composition was investigated by using light scattering and cryo-TEM techniques. The scattering intensity decreases strongly with increasing salt concentration until a critical salt concentration beyond which no micelles exist. The critical micelle concentration increases almost exponentially with the salt concentration. From the scattering results it follows that the aggregation number decreases with the square root of the salt concentration, but the hydrodynamic radius remains constant or increases slightly. It was concluded that the density of the core decreases with increasing ionic strength. This is in agreement with theoretical predictions and is also confirmed by cryo-TEM measurements. A complete composition diagram was constructed based on the composition boundaries obtained from light scattering titrations.

  13. Stepwise assembly of a semiconducting coordination polymer [Cd8S(SPh)14(DMF)(bpy)]n and its photodegradation of organic dyes.

    PubMed

    Xu, Chao; Hedin, Niklas; Shi, Hua-Tian; Xin, ZhiFeng; Zhang, Qian-Feng

    2015-04-14

    Chalcogenolate clusters can be interlinked with organic linkers into semiconducting coordination polymers with photocatalytic properties. Here, discrete clusters of Cd8S(SPh)14(DMF)3 were interlinked with 4,4'-bipyridine into a one dimensional coordination polymer of [Cd8S(SPh)14(DMF)(bpy)]n with helical chains. A stepwise mechanism for the assembly of the coordination polymer in DMF was revealed by an ex situ dynamic light scattering study. The cluster was electrostatically neutral and showed a penta-supertetrahedral structure. During the assembly each cluster was interlinked with two 4,4'-bipyridine molecules, which replaced the two terminal DMF molecules of the clusters. In their solid-state forms, the cluster and the coordination polymer were semiconductors with wide band gaps of 3.08 and 2.80 ev. They photocatalytically degraded rhodamine B and methylene blue in aqueous solutions. The moderate conditions used for the synthesis could allow for further in situ studies of the reaction-assembly of related clusters and coordination polymers.

  14. Pose estimation for one-dimensional object with general motion

    NASA Astrophysics Data System (ADS)

    Liu, Jinbo; Song, Ge; Zhang, Xiaohu

    2014-11-01

    Our primary interest is in real-time one-dimensional object's pose estimation. In this paper, a method to estimate general motion one-dimensional object's pose, that is, the position and attitude parameters, using a single camera is proposed. Centroid-movement is necessarily continuous and orderly in temporal space, which means it follows at least approximately certain motion law in a short period of time. Therefore, the centroid trajectory in camera frame can be described as a combination of temporal polynomials. Two endpoints on one-dimensional object, A and B, at each time are projected on the corresponding image plane. With the relationship between A, B and centroid C, we can obtain a linear equation system related to the temporal polynomials' coefficients, in which the camera has been calibrated and the image coordinates of A and B are known. Then in the cases that object moves continuous in natural temporal space within the view of a stationary camera, the position of endpoints on the one-dimensional object can be located and also the attitude can be estimated using two end points. Moreover the position of any other point aligned on one-dimensional object can also be solved. Scene information is not needed in the proposed method. If the distance between the endpoints is not known, a scale factor between the object's real positions and the estimated results will exist. In order to improve the algorithm's performance from accuracy and robustness, we derive a pain of linear and optimal algorithms. Simulations' and experiments' results show that the method is valid and robust with respect to various Gaussian noise levels. The paper's work contributes to making self-calibration algorithms using one-dimensional objects applicable to practice. Furthermore, the method can also be used to estimate the pose and shape parameters of parallelogram, prism or cylinder objects.

  15. Different aliphatic dicarboxylates affected assemble of new coordination polymers constructed from flexible-rigid mixed ligands

    SciTech Connect

    Xu Xinxin; Ma Ying; Wang Enbo

    2007-11-15

    In this article, seven coordination polymers: [Cd(C{sub 5}H{sub 6}O{sub 4})(C{sub 10}H{sub 8}N{sub 2})]{sub n} (1), [Zn(C{sub 5}H{sub 6}O{sub 4})(C{sub 10}H{sub 8}N{sub 2})]{sub n} (2), [Cd(C{sub 6}H{sub 8}O{sub 4})(C{sub 10}H{sub 8}N{sub 2})]{sub n} (3), {l_brace}[Mn(C{sub 10}H{sub 8}N{sub 2})(H{sub 2}O){sub 4}] (C{sub 4}H{sub 4}O{sub 4}).4H{sub 2}O{r_brace}{sub n} (4), [Mn{sub 5}(C{sub 4}H{sub 4}O{sub 4}){sub 4}(O)]{sub n} (5), [Cd(C{sub 4}H{sub 4}O{sub 4})(C{sub 10}H{sub 8}N{sub 2})(H{sub 2}O)]{sub n} (6) and [Zn(C{sub 6}H{sub 6}O{sub 4})(C{sub 12}H{sub 8}N{sub 2})(H{sub 2}O)]{sub n} (7) were synthesized and characterized by single-crystallographic X-ray diffraction. Compounds 1 and 2 are two-dimensional layers connected by glutarate anions and 4,4'-bpy. Unlike compounds 1 and 2, compound 3 is a two-fold interpenetration network. Compound 4 is a one-dimensional chain-like structure, which is further extended to two-dimensional supramolecular layer structure with hydrogen bond. During the synthesis of compound 4, to our surprise, we got compound 5; compound 5 is an interesting three-dimensional network composed of pentanuclear Mn(II) building units and succinate anions. Compound 6 is also a two-dimensional supramolecular layer structure composed of one-dimensional chain-like structure with hydrogen bonds and {pi}-{pi} interactions. Compound 7 is also a one-dimensional chain-like structure, which is further connected with the same kind of interaction to generate two-dimensional supramolecular layer structure. Furthermore, compounds 1 and 2 both exhibit fluorescent property at room temperature. - Graphical abstract: Seven complexes composed by 3D metal ions, aliphatic acid ligand and rigid bidentate nitrogen ligands: 4,4'-bpy, 2,2'-bpy and 1,10'-phen. With the change of the carbon number of the backbone of aliphatic dicarboxylate ligand, we can synthesize different complexes with various structures.

  16. New 3-D coordination polymers based on semi-rigid V-shape tetracarboxylates

    SciTech Connect

    Huang, Jing-Jing; Xu, Wei; Wang, Yan-Ning; Yu, Jie-Hui; Zhang, Ping; Xu, Ji-Qing

    2015-03-15

    Under the hydrothermal conditions, the reactions of transition-metal salts, tetracarboxylic acids and N,N′-donor ligands yielded three new coordination polymers as [Cu{sub 4}(fph){sub 2}(bpe){sub 3}(H{sub 2}O){sub 2}]·2H{sub 2}O (fph=4,4′-(hexafluoroisopropylidene)diphthalate, bpe=1,2-bis(pyridyl)ethylene) 1, [Co{sub 2}(fph)(bpa){sub 2}(H{sub 2}O){sub 2}]·3H{sub 2}O (bpa=1,2-bis(pyridyl)ethylane) 2, and [Ni(H{sub 2}O)(H{sub 2}oph)(bpa)] (oph=4,4′-oxydiphthalate) 3. X-ray single-crystal diffraction analysis revealed that the title three compounds all possess the three-dimensional (3-D) network structures. For compound 1, the fph molecules first link the Cu{sup 2+} ions into a two-dimensional (2-D) wave-like layer with a (4,4) topology. The bpe molecules act as the second linkers, extending the 2-D layers into a 3-D network. For compound 2, the fph molecules still serve as the first connectors, linking the Co{sup 2+} ions into a one-dimensional (1-D) tube-like chain. Then the bpa molecules propagate the chains into a 3-D (4,4,4)-connected network. In the formation of the 3-D network of compound 3, the oph molecule does not play a role. The bpa molecules as well as the water molecules act as a mixed bridge. Only a kind of 4-connected metal node is observed in compound 3. The magnetic properties of compounds 1–3 were investigated and all exhibit the predominant antiferromegnetic magnetic behaviors. - Graphical abstract: Structures of three semi-rigid V-shape tetracarboxylate-based coordination polymers were reported, and their magnetic properties were investigated. - Highlights: • Structures of three tetracarboxylate-based coordination polymers were reported. • Role of organic bases in metal–tetracarboxylate compounds was discussed. • Characters of V-shape and semi-rigidity for tetracarboxylate play a key role in crystal growth. • Their magnetic properties were investigated.

  17. Complex coacervate core micelles from iron-based coordination polymers.

    PubMed

    Wang, Junyou; de Keizer, Arie; Fokkink, Remco; Yan, Yun; Cohen Stuart, Martien A; van der Gucht, Jasper

    2010-07-01

    Complex coacervate core micelles (C3Ms) from cationic poly(N-methyl-2-vinyl-pyridinium iodide)-b-poly(ethylene oxide) (P2MVP(41)-b-PEO(205)) and anionic iron coordination polymers are investigated in the present work. Micelle formation is studied by light scattering for both Fe(II)- and Fe(III)-containing C3Ms. At the stoichiometric charge ratio, both Fe(II)-C3Ms and Fe(III)-C3Ms are stable for at least 1 week at room temperature. Excess of iron coordination polymers has almost no effect on the formed Fe(II)-C3Ms and Fe(III)-C3Ms, whereas excess of P2MVP(41)-b-PEO(205) copolymers in the solution can dissociate the formed micelles. Upon increasing salt concentration, the scattering intensity decreases. This decrease is due to both a decrease in the number of micelles (or an increase in CMC) and a decrease in aggregation number. The salt dependence of the CMC and the aggregation number is explained using a scaling argument for C3M formation. Compared with Fe(II)-C3Ms, Fe(III)-C3Ms have a lower CMC and a higher stability against dissociation by added salt.

  18. Hydrogen bonding and multiphonon structure in copper pyrazine coordination polymers.

    PubMed

    Brown, S; Cao, J; Musfeldt, J L; Conner, M M; McConnell, A C; Southerland, H I; Manson, J L; Schlueter, J A; Phillips, M D; Turnbull, M M; Landee, C P

    2007-10-15

    We report a systematic investigation of the temperature-dependent infrared vibrational spectra of a family of chemically related coordination polymer magnets based upon bridging bifluoride (HF(2)-) and terminal fluoride (F-) ligands in copper pyrazine complexes including Cu(HF(2))(pyz)(2)BF(4), Cu(HF(2))(pyz)(2)ClO(4), and CuF(2)(H(2)O)(2)(pyz). We compare our results with several one- and two-dimensional prototype materials including Cu(pyz)(NO(3))(2) and Cu(pyz)(2)(ClO(4))(2). Unusual low-temperature hydrogen bonding, local structural transitions associated with stronger low-temperature hydrogen bonding, and striking multiphonon effects that derive from coupling of an infrared-active fundamental with strong Raman-active modes of the pyrazine building-block molecule are observed. On the basis of the spectroscopic evidence, these interactions are ubiquitous to this family of coordination polymers and may work to stabilize long-range magnetic ordering at low temperature. Similar interactions are likely to be present in other molecule-based magnets.

  19. Magnetic Iron Oxide Nanoparticle Seeded Growth of Nucleotide Coordinated Polymers.

    PubMed

    Liang, Hao; Liu, Biwu; Yuan, Qipeng; Liu, Juewen

    2016-06-22

    The introduction of functional molecules to the surface of magnetic iron oxide nanoparticles (NPs) is of critical importance. Most previously reported methods were focused on surface ligand attachment either by physisorption or covalent conjugation, resulting in limited ligand loading capacity. In this work, we report the seeded growth of a nucleotide coordinated polymer shell, which can be considered as a special form of adsorption by forming a complete shell. Among all of the tested metal ions, Fe(3+) is the most efficient for this seeded growth. A diverse range of guest molecules, including small organic dyes, proteins, DNA, and gold NPs, can be encapsulated in the shell. All of these molecules were loaded at a much higher capacity compared to that on the naked iron oxide NP core, confirming the advantage of the coordination polymer (CP) shell. In addition, the CP shell provides better guest protein stability compared to that of simple physisorption while retaining guest activity as confirmed by the entrapped glucose oxidase assay. Use of this system as a peroxidase nanozyme and glucose biosensor was demonstrated, detecting glucose as low as 1.4 μM with excellent stability. This work describes a new way to functionalize inorganic materials with a biocompatible shell. PMID:27248668

  20. A Lamellar Coordination Polymer with Remarkable Catalytic Activity.

    PubMed

    Mendes, Ricardo F; Antunes, Margarida M; Silva, Patrícia; Barbosa, Paula; Figueiredo, Filipe; Linden, Anthony; Rocha, João; Valente, Anabela A; Almeida Paz, Filipe A

    2016-09-01

    A positively charged lamellar coordination polymer based on a flexible triphosphonic acid linker is reported. [Gd(H4 nmp)(H2 O)2 ]Cl⋅2 H2 O (1) [H6 nmp=nitrilotris(methylenephosphonic acid)] was obtained by a one-pot approach by using water as a green solvent and by forcing the inclusion of additional acid sites by employing HCl in the synthesis. Compound 1 acts as a versatile heterogeneous acid catalyst with outstanding activity in organic reactions such as alcoholysis of styrene oxide, acetalization of benzaldehyde and cyclohexanaldehyde and ketalization of cyclohexanone. For all reaction systems, very high conversions were reached (92-97 %) in only 15-30 min under mild conditions (35 °C, atmospheric pressure). The coordination polymer exhibits a protonic conductivity of 1.23×10(-5)  S cm(-1) at 98 % relative humidity and 40 °C. PMID:27505712

  1. Stationary one-dimensional dispersive shock waves.

    PubMed

    Kartashov, Yaroslav V; Kamchatnov, Anatoly M

    2012-02-01

    We address shock waves generated upon the interaction of tilted plane waves with negative refractive index defects in defocusing media with linear gain and two-photon absorption. We found that, in contrast to conservative media where one-dimensional dispersive shock waves usually exist only as nonstationary objects expanding away from a defect or generating beam, the competition between gain and two-photon absorption in a dissipative medium results in the formation of localized stationary dispersive shock waves, whose transverse extent may considerably exceed that of the refractive index defect. One-dimensional dispersive shock waves are stable if the defect strength does not exceed a certain critical value.

  2. Bi[NC{sub 5}H{sub 3}(CO{sub 2}){sub 2}](OH{sub 2}){sub x}F (x=1 and 2): New one-dimensional Bi-coordination materials-Reversible hydration and topotactic decomposition to {alpha}-Bi{sub 2}O{sub 3}

    SciTech Connect

    Jeon, Hye Rim; Lee, Dong Woo; Ok, Kang Min

    2012-03-15

    Two one-dimensional bismuth-coordination materials, Bi[NC{sub 5}H{sub 3}(CO{sub 2}){sub 2}](OH{sub 2}){sub x}F (x=1 and 2), have been synthesized by hydrothermal reactions using Bi{sub 2}O{sub 3}, 2,6-NC{sub 5}H{sub 3}(CO{sub 2}H){sub 2}, HF, and water at 180 Degree-Sign C. Structures of the two materials were determined by single-crystal X-ray diffraction. Although they have different crystal structures, both Bi-organic materials shared a common structural motif, a one-dimensional chain structure consisting of Bi{sup 3+} cations and pyridine dicarboxylate linkers. Detailed structural analyses include infrared spectroscopy, thermogravimetric analysis, and reversible hydration reactions for the coordinated water molecules were reported. Also, thermal decomposition of the rod-shaped Bi[NC{sub 5}H{sub 3}(CO{sub 2}){sub 2}](OH{sub 2})F single crystals at 800 Degree-Sign C led to {alpha}-Bi{sub 2}O{sub 3} that maintained the same morphology of the original crystals. - Graphical abstract: Calcination of the Bi[NC{sub 5}H{sub 3}(CO{sub 2}){sub 2}](OH{sub 2})F single crystals at 800 Degree-Sign C results in the {alpha}-Bi{sub 2}O{sub 3} rods that maintain the original morphology of the crystals. Highlights: Black-Right-Pointing-Pointer Synthesis of one-dimensional chain Bi-organic frameworks. Black-Right-Pointing-Pointer Reversible hydration reactions of Bi[NC{sub 5}H{sub 3}(CO{sub 2}){sub 2}](OH{sub 2})F. Black-Right-Pointing-Pointer Topotactic decomposition maintaining the same morphology of the original crystals.

  3. One- and two-dimensional Cd(II) coordination polymers incorporating organophosphinate ligands.

    PubMed

    Rood, Jeffrey A; Boyer, Steven; Oliver, Allen G

    2014-11-01

    Reaction of cadmium nitrate with diphenylphosphinic acid in dimethylformamide solvent yielded the one-dimensional coordination polymer catena-poly[[bis(dimethylformamide-κO)cadmium(II)]-bis(μ-diphenylphosphinato-κ(2)O:O')], [Cd(C12H10O2P)2(C3H7NO)2]n, (I). Addition of 4,4'-bipyridine to the synthesis afforded a two-dimensional extended structure, poly[[(μ-4,4'-bipyridine-κ(2)N:N')bis(μ-diphenylphosphinato-κ(2)O:O')cadmium(II)] dimethylformamide monosolvate], {[Cd(C12H10O2P)2(C10H8N2)]·C3H7NO}n, (II). In (II), the 4,4'-bipyridine molecules link the Cd(II) centers in the crystallographic a direction, while the phosphinate ligands link the Cd(II) centers in the crystallographic b direction to complete a two-dimensional sheet structure. Consideration of additional π-π interactions of the phenyl rings in (II) produces a three-dimensional structure with channels that encapsulate dimethylformamide molecules as solvent of crystallization. Both compounds were characterized by single-crystal X-ray diffraction and FT-IR analysis.

  4. One-Dimensional Wavefront Sensor Analysis

    1996-04-25

    This software analyzes one-dimensional wavefront sensor data acquired with any of several data acquisition systems. It analyzes the data to determine centroids, wavefront slopes and overall wavefront error. The data can be displayed in many formats, with plots of various parameters vs time and position, including computer generated movies. Data can also be exported for use by other programs.

  5. One-Dimensional Oscillator in a Box

    ERIC Educational Resources Information Center

    Amore, Paolo; Fernandez, Francisco M.

    2010-01-01

    We discuss a quantum-mechanical model of two particles that interact by means of a harmonic potential and are confined to a one-dimensional box with impenetrable walls. We apply perturbation theory to the cases of different and equal masses and analyse the symmetry of the states in the latter case. We compare the approximate perturbation results…

  6. Stereochemically Distinct Cyclotetrasiloxanes Containing 3-Pyridyl Moieties and Their Functional Coordination Polymers.

    PubMed

    Deshmukh, Mahesh S; Vijayakanth, Thangavel; Boomishankar, Ramamoorthy

    2016-03-21

    Synthesis of new cyclotetrasiloxane scaffolds containing peripherally functionalized 3-pyridyl moieties, [MeSiO(CH═CH(3)Py)]4 (L(1)) and [MeSiO(CH2CH2(3)Py)]4 (L(2)), and their reactivity studies with certain d(10) metal ions are reported. The ligand L(1) is obtained by the Heck-coupling reaction of tetramethyl tetravinyl tetrasiloxane (D4(vi)) and 3-bromopyridine in the presence of the Pd(0) catalysts. The as-synthesized ligand L(1) shows the presence of three stereoisomers, cis-trans-cis (L(1A)), cis-cis-trans (L(1B)), and all-trans (L(1C)), which are quantitatively separated by column chromatography. Subsequent reduction of L(1A), L(1B), and L(1C) with triethylsilane in the presence of catalytic amounts of Pd/C leads to the formation of the ligands L(2A), L(2B), and L(2C) with retention of stereochemistry due to the precursor moieties. Treatment of ZnI2 with L(1A) gives a one-dimensional coordination framework [(L(1A))4(ZnI2)2]∞, 1. These 1D-chains are further connected by π-π stacking interactions between the pyridyl groups of the adjacent chains leading to the formation of a three-dimensional network with the topology of a PtS net. The reaction of silver nitrate with ligand L(1B) gives a chain like one-dimensional cationic coordination polymer {[(L(1B))4Ag2]·2NO3·H2O·CH3OH }∞, 2, consisting of two different kinds of 32-membered macrocycles. Treatment of the all-trans ligand L(2C) with copper(I) iodide salt results in the formation of a cubane-type Cu4I4 cluster MOF [(L(2C))4Cu4I4]∞, 3, in a two-dimensional 4-connected uninodal sql/Shubnikov tetragonal plane net topology represented by the Schläfli symbol {4(4).6(2)}. This MOF displays a thermochromic luminescence behavior due to Cu4I4 clusters showing an orange emission at 298 K and a blue emission at 77 K. PMID:26958986

  7. Finite-temperature second-order many-body perturbation and Hartree–Fock theories for one-dimensional solids: An application to Peierls and charge-density-wave transitions in conjugated polymers

    SciTech Connect

    He, Xiao; Ryu, Shinsei; Hirata, So

    2014-01-14

    Finite-temperature extensions of ab initio Gaussian-basis-set spin-restricted Hartree–Fock (HF) and second-order many-body perturbation (MP2) theories are implemented for infinitely extended, periodic, one-dimensional solids and applied to the Peierls and charge-density-wave (CDW) transitions in polyyne and all-trans polyacetylene. The HF theory predicts insulating CDW ground states for both systems in their equidistant structures at low temperatures. In the same structures, they turn metallic at high temperatures. Starting from the “dimerized” low-temperature equilibrium structures, the systems need even higher temperatures to undergo a Peierls transition, which is accompanied by geometric as well as electronic distortions from dimerized to non-dimerized forms. The conventional finite-temperature MP2 theory shows a sign of divergence in any phase at any nonzero temperature and is useless. The renormalized finite-temperature MP2 (MP2R) theory is divergent only near metallic electronic structures, but is well behaved elsewhere. MP2R also predicts CDW and Peierls transitions occurring at two different temperatures. The effect of electron correlation is primarily to lower the Peierls transition temperature.

  8. Finite-temperature second-order many-body perturbation and Hartree-Fock theories for one-dimensional solids: an application to Peierls and charge-density-wave transitions in conjugated polymers.

    PubMed

    He, Xiao; Ryu, Shinsei; Hirata, So

    2014-01-14

    Finite-temperature extensions of ab initio Gaussian-basis-set spin-restricted Hartree-Fock (HF) and second-order many-body perturbation (MP2) theories are implemented for infinitely extended, periodic, one-dimensional solids and applied to the Peierls and charge-density-wave (CDW) transitions in polyyne and all-trans polyacetylene. The HF theory predicts insulating CDW ground states for both systems in their equidistant structures at low temperatures. In the same structures, they turn metallic at high temperatures. Starting from the "dimerized" low-temperature equilibrium structures, the systems need even higher temperatures to undergo a Peierls transition, which is accompanied by geometric as well as electronic distortions from dimerized to non-dimerized forms. The conventional finite-temperature MP2 theory shows a sign of divergence in any phase at any nonzero temperature and is useless. The renormalized finite-temperature MP2 (MP2R) theory is divergent only near metallic electronic structures, but is well behaved elsewhere. MP2R also predicts CDW and Peierls transitions occurring at two different temperatures. The effect of electron correlation is primarily to lower the Peierls transition temperature.

  9. Solid-state polymerisation via [2+2] cycloaddition reaction involving coordination polymers.

    PubMed

    Medishetty, Raghavender; Park, In-Hyeok; Lee, Shim Sung; Vittal, Jagadese J

    2016-03-14

    Highly crystalline metal ions containing organic polymers are potentially useful to manipulate the magnetic and optical properties to make advanced multifunctional materials. However, it is challenging to synthesise monocrystalline metal complexes of organic polymers and single-phase hybrid materials made up of both coordination and organic polymers by traditional solution crystallisation. This requires an entirely different approach in the solid-state by thermal or photo polymerisation of the ligands. Among the photochemical methods available, [2+2] cycloaddition reaction has been recently employed to generate cyclobutane based coordination polymers from the metal complexes. Cyclobutane polymers have also been integrated into coordination polymers in this way. Recent advancements in the construction of polymeric chains of cyclobutane rings through photo-dimerisation reaction in the monocrystalline solids containing metal complexes, coordination polymers and metal-organic framework structures are discussed here.

  10. Solid-state polymerisation via [2+2] cycloaddition reaction involving coordination polymers.

    PubMed

    Medishetty, Raghavender; Park, In-Hyeok; Lee, Shim Sung; Vittal, Jagadese J

    2016-03-14

    Highly crystalline metal ions containing organic polymers are potentially useful to manipulate the magnetic and optical properties to make advanced multifunctional materials. However, it is challenging to synthesise monocrystalline metal complexes of organic polymers and single-phase hybrid materials made up of both coordination and organic polymers by traditional solution crystallisation. This requires an entirely different approach in the solid-state by thermal or photo polymerisation of the ligands. Among the photochemical methods available, [2+2] cycloaddition reaction has been recently employed to generate cyclobutane based coordination polymers from the metal complexes. Cyclobutane polymers have also been integrated into coordination polymers in this way. Recent advancements in the construction of polymeric chains of cyclobutane rings through photo-dimerisation reaction in the monocrystalline solids containing metal complexes, coordination polymers and metal-organic framework structures are discussed here. PMID:26687811

  11. New 4,5-dichlorophthalhydrazidate-bridged chained coordination polymers

    SciTech Connect

    Jin, Juan; Wu, Di; Jia, Ming-Jun; Peng, Yu; Yu, Jie-Hui; Wang, Yu-Chang; Xu, Ji-Qing

    2011-03-15

    The hydrothermal self-assemblies of Pb{sup 2+}/Cd{sup 2+} salt, 4,5-dichlorophthalic acid (dcpha), N{sub 2}H{sub 4}.H{sub 2}O together with 1,10-phenanthroline.H{sub 2}O (phen) or 2,2'-bipyridine (bpy) generated two new monoacylhydrazidate-bridged 1-D chained coordination polymers [Pb{sub 2}(DCPTH){sub 4}(phen){sub 2}] 1 and [Cd{sub 3}(DCPTH){sub 2}(dcph){sub 2}(bpy){sub 2}] 2 (DCPTH=4,5-dichlorophthalhydrazidate, dcph=4,5-dichlorophthalate). The monoacylhydrazidate ligand DCPTH originated from the hydrothermal in situ acylation reaction between dcpha and N{sub 2}H{sub 4}.H{sub 2}O. In compound 1, two types of coordination modes for DCPTH are found, which link alternately the Pb(II) centers into a 1-D chain structure of compound 1 with ancillary phen molecules. In compound 2, DCPTH and dcph as the mixed bridges extend the Cd(II) centers into a 1-D chain structure of compound 2 with auxiliary bpy molecules. DCPTH in compound 2 shows a different coordination mode from those observed in compound 1. -- Graphical abstract: By applying the in situ acylation reaction between 4,5-diclorophthalic acid and N{sub 2}H{sub 4}.H{sub 2}O, two 4,5-dichlorophthalhydrazidate-bridged chained compounds [Pb{sub 2}(DCPTH){sub 4}(phen){sub 2}] and [Cd{sub 3}(DCPTH){sub 2}(dcph){sub 2}(bpy){sub 2}] (4,5-dichlorophthalhydrazidate=DCPTH, and dcph=4,5-dichlorophthalate) were hydrothermally synthesized. Display Omitted Research highlights: > In this article, we first reported the preparations and structural characterization of two examples of 4,5-dichlorophthalhydrazidate-bridged chained coordination polymers [Pb{sub 2}(DCPTH){sub 4}(phen){sub 2}] 1 and [Cd{sub 3}(DCPTH){sub 2}(dcph){sub 2}(bpy){sub 2}] 2. 4,5-dichlorophthalhydrazidate derived from the hydrothermal in situ acylation reactions between 4,5-dichlorophthalic acid and N{sub 2}H{sub 4}.H{sub 2}O. > In this article, a simple method to judge whether the polycarboxylic acid precursors have acylated into the acylhydrazidate ligands is

  12. Metal coordination polymers of 2,3-bis(benzimidazol-1-ylmethyl)quinoxaline: Syntheses, crystal structures and luminescent properties

    NASA Astrophysics Data System (ADS)

    Du, Jian-Long; Wei, Zi-Zhang; Hu, Tong-Liang

    2011-06-01

    Two new metal-organic frameworks, {[Cu LI]·CHCl 3} ∞( 1) and {[Hg L(Br) 2] 4·2CH 2Cl 2} ∞ ( 2) have been prepared by reacting CuI and HgBr 2 with the new flexible ligand L [ L = 2,3-Bis(benzimidazol-1-ylmethyl)quinoxaline]. Both complexes have been characterized by elemental analysis, IR, TGA, XRPD, and single crystal X-ray diffraction determination. In 1, the Cu(I) ion takes tetrahedral coordination geometry, and the flexible ligands bridge dinuclear units (Cu 2I 2) to form a one dimensional (1D) double chain structure. While in 2, the Hg(II) coordinates to two bromine ions and two nitrogen donors of L to form a 1D coordination polymer. The structure differences of the two complexes mainly depend on the geometry of the metal ions and the influence of anions. The coordination features of the ligand have also been primarily investigated by density functional theory (DFT) calculations. In addition, the fluorescent properties of the complexes and free ligand L have been investigated in the solid state at room temperature.

  13. Transient One-dimensional Pipe Flow Analyzer

    1986-04-08

    TOPAZ-SNLL, the Transient One- dimensional Pipe flow AnalyZer code, is a user-friendly computer program for modeling the heat transfer, fluid mechanics, and thermodynamics of multi-species gas transfer in arbitrary arrangements of pipes, valves, vessels, and flow branches. Although the flow conservation equations are assumed to be one-dimensional and transient, multidimensional features of internal fluid flow and heat transfer may be accounted for using the available quasi-steady flow correlations (e.g., Moody friction factor correlation and variousmore » form loss and heat transfer correlations). Users may also model the effects of moving system boundaries such as pistons, diaphragms, and bladders. The features of fully compressible flow are modeled, including the propagation of shocks and rarefaction waves, as well as the establishment of multiple choke points along the flow path.« less

  14. Transient One-dimensional Pipe Flow Analyzer

    SciTech Connect

    1986-04-08

    TOPAZ-SNLL, the Transient One- dimensional Pipe flow AnalyZer code, is a user-friendly computer program for modeling the heat transfer, fluid mechanics, and thermodynamics of multi-species gas transfer in arbitrary arrangements of pipes, valves, vessels, and flow branches. Although the flow conservation equations are assumed to be one-dimensional and transient, multidimensional features of internal fluid flow and heat transfer may be accounted for using the available quasi-steady flow correlations (e.g., Moody friction factor correlation and various form loss and heat transfer correlations). Users may also model the effects of moving system boundaries such as pistons, diaphragms, and bladders. The features of fully compressible flow are modeled, including the propagation of shocks and rarefaction waves, as well as the establishment of multiple choke points along the flow path.

  15. One-dimensional nano-interconnection formation.

    PubMed

    Ji, Jianlong; Zhou, Zhaoying; Yang, Xing; Zhang, Wendong; Sang, Shengbo; Li, Pengwei

    2013-09-23

    Interconnection of one-dimensional nanomaterials such as nanowires and carbon nanotubes with other parts or components is crucial for nanodevices to realize electrical contacts and mechanical fixings. Interconnection has been being gradually paid great attention since it is as significant as nanomaterials properties, and determines nanodevices performance in some cases. This paper provides an overview of recent progress on techniques that are commonly used for one-dimensional interconnection formation. In this review, these techniques could be categorized into two different types: two-step and one-step methods according to their established process. The two-step method is constituted by assembly and pinning processes, while the one-step method is a direct formation process of nano-interconnections. In both methods, the electrodeposition approach is illustrated in detail, and its potential mechanism is emphasized.

  16. A coordination polymer nanobelt (CPNB)-based aptasensor for sulfadimethoxine.

    PubMed

    Song, Kyung-Mi; Jeong, Euiyoung; Jeon, Weejeong; Jo, Hunho; Ban, Changill

    2012-03-15

    A polymer-based aptasensor, which consisted of fluorescein amidite (FAM)-modified aptamers and coordination polymer nanobelts (CPNBs), was developed utilizing the fluorescence quenching effect to detect sulfadimethoxine residue in food products. A single-stranded DNA (ssDNA) aptamer, which was a specific bio-probe for sulfadimethoxine (Su13; 5'-GAGGGCAACGAGTGTTTATAGA-3'), was discovered by a magnetic bead-based systematic evolution of ligands by exponential enrichment (SELEX) technique, and the fluorescent quenchers CPNBs were produced by mixing AgNO(3) and 4,4'-bipyridine. This aptasensor easily and sensitively detected sulfadimethoxine in solution with a limit of detection (LOD) of 10ng/mL. Furthermore, the antibiotic dissolved in milk was also effectively detected with the same LOD value. In addition, this aptamer probe offered high specificity for sulfadimethoxine compared to other antibiotics. These valuable results provide ample evidence that the CPNB-based aptasensor can be used to quantify sulfadimethoxine residue in food products. PMID:22244734

  17. Nanoscale coordination polymers exhibiting luminescence properties and NMR relaxivity.

    PubMed

    Chelebaeva, Elena; Larionova, Joulia; Guari, Yannick; Ferreira, Rute A S; Carlos, Luis D; Trifonov, Alexander A; Kalaivani, Thangavel; Lascialfari, Alessandro; Guérin, Christian; Molvinger, Karine; Datas, Lucien; Maynadier, Marie; Gary-Bobo, Magali; Garcia, Marcel

    2011-03-01

    This article presents the first example of ultra-small (3-4 nm) magneto-luminescent cyano-bridged coordination polymer nanoparticles Ln0.33(3+)Gdx3+/[Mo(CN)8]3- (Ln=Eu (x=0.34), Tb (x=0.35)) enwrapped by a natural biocompatible polymer chitosan. The aqueous colloidal solutions of these nanoparticles present a luminescence characteristic of the corresponding lanthanides (5D0→7F0-4 (Eu3+) or the 5D4→7F6-2 (Tb3+)) under UV excitation and a green luminescence of the chitosan shell under excitation in the visible region. Magnetic Resonance Imaging (MRI) efficiency, i.e. the nuclear relaxivity, measurements performed for Ln0.33(3+)Gdx3+/[Mo(CN)8]3- nanoparticles show r1p and r2p relaxivities slightly higher than or comparable to the ones of the commercial paramagnetic compounds Gd-DTPA® or Omniscan® indicating that our samples may potentially be considered as a positive contrast agent for MRI. The in vitro studies performed on these nanoparticles show that they maybe internalized into human cancer and normal cells and well detected by fluorescence at the single cell level. They present high stability even at low pH and lack of cytotoxicity both in human cancer and normal cells.

  18. Functional One-Dimensional Lipid Bilayers on Carbon Nanotube Templates

    SciTech Connect

    Artyukhin, A; Shestakov, A; Harper, J; Bakajin, O; Stroeve, P; Noy, A

    2004-07-23

    We present one-dimensional (1-D) lipid bilayer structures that integrate carbon nanotubes with a key biological environment-phospholipid membrane. Our structures consist of lipid bilayers wrapped around carbon nanotubes modified with a hydrophilic polymer cushion layer. Despite high bilayer curvature, the lipid membrane maintains its fluidity and can sustain repeated damage-recovery cycles. We also present the first evidence of spontaneous insertion of pore-forming proteins into 1-D lipid bilayers. These structures could lead to the development of new classes of biosensors and bioelectronic devices.

  19. Two new coordination polymers, a trinuclear metal complex and their interconversion depending on the solvent.

    PubMed

    Koike, Shiori; Hirakawa, Takeshi; Yamanishi, Katsunori; Kondo, Mitsuru

    2014-09-14

    Two new 1-D coordination polymers and a discrete trinuclear complex with a double-ring framework were synthesized and structurally characterized. The unique irreversible conversion from one of the 1-D coordination polymers to the trinuclear complex by contact with MeCN is described.

  20. Reversible Single-Crystal to Single-Crystal Transformations of a Zn(II)-Salicyaldimine Coordination Polymer Accompanying Changes in Coordination Sphere and Network Dimensionality upon Dehydration and Rehydration.

    PubMed

    Wu, Jing-Yun; Chang, Ching-Yun; Tsai, Chi-Jou; Lee, Jey-Jau

    2015-11-16

    A fluorescent Zn(II)-salicyaldimine coordination polymer, [Zn(L(salpyca))(H2O)]n (1; H2L(salpyca) = 4-hydroxy-3-(((pyridin-2-yl)methylimino)methyl)benzoic acid), showing a one-dimensional (1D) zigzag chain structure has been hydro(solvo)thermally synthesized. Removal of coordination water molecules in 1 by thermal dehydration gives rise to the dehydration product [Zn(L(salpyca))]n (1'), which has a dizinc-based two-dimensional (2D) gridlike (4,4)-layer structure. X-ray powder diffraction (XRPD) patterns, thermogravimetric (TG) analyses, and infrared (IR) spectra all clearly indicate that the structure of 1 is quite flexible as a result of a reversible 1D-2D single-crystal to single-crystal (SCSC) transformation upon removal and rebinding of coordination water molecules, which accompanies changes in coordination sphere and network dimensionality. Additionally, Zn(II)-salicyaldimine polymers 1 and 1' exhibit different solid-state photoluminescences at 458 and 480 nm, respectively. This is reasonably attributed to the close-packing effect and/or the influences of the differences on the conformation and the coordination mode of the L(salpyca) ligand and the coordination geometry around the Zn(II) center.

  1. One-dimensional hypersonic phononic crystals.

    PubMed

    Gomopoulos, N; Maschke, D; Koh, C Y; Thomas, E L; Tremel, W; Butt, H-J; Fytas, G

    2010-03-10

    We report experimental observation of a normal incidence phononic band gap in one-dimensional periodic (SiO(2)/poly(methyl methacrylate)) multilayer film at gigahertz frequencies using Brillouin spectroscopy. The band gap to midgap ratio of 0.30 occurs for elastic wave propagation along the periodicity direction, whereas for inplane propagation the system displays an effective medium behavior. The phononic properties are well captured by numerical simulations. The porosity in the silica layers presents a structural scaffold for the introduction of secondary active media for potential coupling between phonons and other excitations, such as photons and electrons.

  2. Enhancing one dimensional sensitivity with plasmonic coupling.

    PubMed

    O'Mullane, Samuel; Peterson, Brennan; Race, Joseph; Keller, Nick; Diebold, Alain C

    2014-10-20

    In this paper, we propose a cross-grating structure to enhance the critical dimension sensitivity of one dimensional nanometer scale metal gratings. Making use of the interaction between slight changes in refractive index and localized plasmons, we demonstrate sub-angstrom scale sensitivity in this structure. Compared to unaltered infinite metal gratings and truncated finite gratings, this cross-grating structure shows robust spectra dependent mostly on the dimension of the smaller line width and pitch. While typical scatterometry simulations show angstrom resolution at best, this structure has demonstrated picometer resolution. Due to the wide range of acceptable specifications, we expect experimental confirmation of such structures to soon follow. PMID:25401657

  3. Structural Design Parameters for Highly Birefringent Coordination Polymers.

    PubMed

    Thompson, John R; Katz, Michael J; Williams, Vance E; Leznoff, Daniel B

    2015-07-01

    A series of coordination polymer materials incorporating the highly anisotropic 2-(2-pyridyl)-1,10-phenanthroline (phenpy) building block have been synthesized and structurally characterized. M(phenpy)[Au(CN)2]2 (M = Cd, Mn) are isostructural and form a 1-D chain through bridging [Au(CN)2](-) units and extend into a 2-D sheet through aurophilic interactions. M(phenpy)(H2O)[Au(CN)2]2·2H2O (M = Cd, Mn, and Zn) are also isostructural but differ from the first set via the inclusion of a water molecule into the coordination sphere, resulting in a 1-D topology through aurophilic interactions. In(phenpy)(Cl)2[Au(CN)2]·0.5H2O forms a dimer through bridging chlorides and contains a free [Au(CN)2](-) unit. In the plane of the primary crystal growth direction, the birefringence values (Δn) of 0.37(2) (Cd(phenpy)[Au(CN)2]2), 0.50(3) (In(phenpy)(Cl)2[Au(CN)2]·0.5H2O), 0.56(3) and 0.59(6) (M(phenpy)(H2O)[Au(CN)2]2·2H2O M = Cd and Zn, respectively) were determined. β, a structural parameter defined by phenpy units rotated in the A-C plane relative to the light propagation (C) direction, was found to correlate to Δn magnitudes. The addition of a carbon-carbon double bond to terpy has increased the molecular polarizability anisotropy of the building block, and all structures have reduced deviation from planarity in comparison to terpy and terpy derivative structures, leading to these higher Δn values, which are among the highest reported for crystalline solids. PMID:26098267

  4. Polymer complexes. LX. Supramolecular coordination and structures of N(4-(acrylamido)-2-hydroxybenzoic acid) polymer complexes

    NASA Astrophysics Data System (ADS)

    Ghoneim, M. M.; El-Sonbati, A. Z.; El-Bindary, A. A.; Diab, M. A.; Serag, L. S.

    2015-04-01

    A number of novel polymer complexes of various anions of copper(II), cobalt(II), nickel(II) and uranyl(II) with N(4-(acrylamido)-2-hydroxy benzoic acid) (ABH) have been synthesized and characterized by elemental analysis, IR, 1H NMR, magnetic susceptibility measurements, electronic spin resonance, vibrational spectra and thermal analysis. The molecular structures of the ligand are optimized theoretically and the quantum chemical parameters are calculated. Tentative structures for the polymeric metal complexes due to their potential application are also suggested. The IR data exhibit the coordination of ONO2/OAc/SO4 with the metal ions in the polymeric metal complex. Vibrational spectra indicate coordination of carboxylate oxygen and phenolic OH of the ligand giving a MO4 square planar chromophore. Ligand field ESR spectra support square planar geometry around Cu(II). The thermal decomposition of the polymer complexes were discussed in relation to structure, and the thermodynamic parameters of the decomposition stages were evaluated applying Coast-Redfern and Horowitz-Metzger methods.

  5. Synthesis and characterization of different zinc(II) oxide nano-structures from two new zinc(II)-Quinoxaline coordination polymers

    NASA Astrophysics Data System (ADS)

    Molaei, Fatemeh; Bigdeli, Fahime; Morsali, Ali; Joo, Sang Woo; Bruno, Giuseppe; Rudbari, Hadi Amiri

    2015-09-01

    Two new zinc(II) coordination polymers, [Zn(Quinoxaline)(NO3)2(H2O)2]nṡQuinoxaline·H2O (1) and [Zn(Quinoxaline)2(Br)2]n (2), Quinoxaline = Benzopyrazine, have been synthesized and characterized by IR spectroscopy. Compounds 1 and 2 were structurally characterized by single crystal X-ray diffraction and are one-dimensional coordination polymers with coordination environment of octahedral and tetrahedral respectively. Nanostructures of zinc(II) oxide were obtained by thermolyses of compound 1 in oleic acid, calcination of compound 1 at 500 °C under air atmosphere and sol-gel processes. Also, nanopowders of zinc(II) oxide were obtained by calcination of compound 2 at 450 and 550 °C. The nanomaterials were characterized by scanning electron microscopy and X-ray powder diffraction (XRD). The thermal stability of compounds 1 and 2 both their bulk were studied by thermo-gravimetric (TGA) and differential thermal analyses (DTA). This study demonstrates the coordination polymers may be suitable precursors for the preparation of nanoscale materials.

  6. pH- and mol-ratio dependent formation of zinc(II) coordination polymers with iminodiacetic acid: Synthesis, spectroscopic, crystal structure and thermal studies

    SciTech Connect

    Ni Lubin; Zhang Ronghua; Liu Qiongxin; Xia Wensheng; Wang Hongxin; Zhou Zhaohui

    2009-10-15

    Three novel zinc coordination polymers (NH{sub 4}){sub n}[Zn(Hida)Cl{sub 2}]{sub n} (1), [Zn(ida)(H{sub 2}O){sub 2}]{sub n} (2), [Zn(Hida){sub 2}]{sub n}.4nH{sub 2}O (3) (H{sub 2}ida=iminodiacetic acid) and a monomeric complex [Zn(ida)(phen)(H{sub 2}O)].2H{sub 2}O (4) (phen=1,10-phenanthroline) have been synthesized and characterized by X-ray diffraction methods. 1 and 2 form one-dimensional (1-D) chain structures, whereas 3 exhibits a three-dimensional (3-D) diamondoid framework with an open channel. The mononuclear complex 4 is extended into a 3-D supramolecular architecture through hydrogen bonds and pi-pi stacking. Interestingly, cyclic nonplanar tetrameric water clusters are observed that encapsulated in the 3-D lattice of 4. Based on {sup 1}H and {sup 13}C NMR observations, there is obvious coordination of complex 2 in solution, while 1 and 3 decompose into free iminodiacetate ligand. Monomer [Zn(ida)(H{sub 2}O){sub 3}] (5) is considered as a possible discrete species from 2. These coordination polymers can serve as good molecular precursors for zinc oxide. - Text3: Reaction of zinc salt with iminodiacetic acid afforded three new coordination polymers 1-3 and a monomer 4, which is dependent on pH value and molar ratio of the reactants.

  7. Carbon dioxide (CO2) absorption behavior of mixed matrix polymer composites containing a flexible coordination polymer.

    PubMed

    Culp, Jeffrey T; Sui, Lang; Goodman, Angela; Luebke, David

    2013-03-01

    Mixed matrix membranes (MMMs) comprised of metal organic frameworks (MOFs) dispersed in organic polymers are popular materials under study for potential applications in gas separations. However, research on MMMs containing structurally dynamic sorbents known as flexible MOFs has only very recently appeared in the literature. The thermodynamic requirements of the structure transition between the low porosity and high porosity phases of flexible MOFs may provide a mechanism for high adsorption selectivity in these materials. A fundamental question in MMMs containing flexible MOFs is how the constraint of the polymer matrix on the intrinsic expansion of the flexible MOF particles that occurs during gas adsorption might affect the thermodynamics of this structural phase transition and influence the gas adsorption properties of the embedded MOF. To investigate the fundamental nature of this flexible MOF-polymer interface, thin films of ~20 um thickness were prepared using the flexible linear chain coordination polymer catena-bis(dibenzoylmethanato)-(4,4'bipyridyl)nickel(II) "Ni(Bpy)(DBM)(2)" embedded as 35 wt% dispersions in Matrimid®, polystyrene, and polysulfone. The adsorption of CO(2) in the polymers and embedded particles was studied using in situ ATR-FTIR spectroscopy and variable temperature volumetric CO(2) adsorption/desorption isotherms. Interestingly, no effect of the polymer matrix on the gas adsorption behavior of the embedded Ni(Bpy)(DBM)(2) particles was observed. The composite samples all showed the same threshold pressures for CO(2) absorption and desorption hysteresis associated with the structural phase change in the polymer embedded Ni(Bpy)(DBM)(2) particles as was observed in the pristine polycrystalline sample. The current results contrast those recently reported for a MMM containing the flexible MOF "NH(2)-MIL-53" where a significant increase in the threshold pressure for CO(2) adsorption associated with the structural phase change of the MOF was

  8. Nanoscale coordination polymers for platinum-based anticancer drug delivery.

    PubMed

    Rieter, William J; Pott, Kimberly M; Taylor, Kathryn M L; Lin, Wenbin

    2008-09-01

    Pt-containing nanoscale coordination polymer (NCP) particles with the formula of Tb2(DSCP)3(H2O)12 (where DSCP represents disuccinatocisplatin), NCP-1, were precipitated from an aqueous solution of Tb3+ ions and DSCP bridging ligands via the addition of a poor solvent. SEM and TEM images showed that as-synthesized NCP-1 exhibited a spherical morphology with a DLS diameter of 58.3 +/- 11.3 nm. NCP-1 particles were stabilized against rapid dissolution in water by encapsulation in shells of amorphous silica. The resulting silica-coated particles NCP-1' exhibited significantly longer half-lives for DSCP release from the particles (a t1/2 of 9 h for NCP-1' with 7 nm silica coating vs t1/2 of 1 h for as-synthesized NCP-1). In vitro cancer cell cytotoxicity assays with the human colon carcinoma cell line (HT-29) showed that internalized NCP-1' particles readily released the DSCP moieties which were presumably reduced to cytotoxic Pt(II) species to give the Pt-containing NCPs anticancer efficacy superior to the cisplatin standard. The generality of this degradable nanoparticle formulation should allow for the design of NCPs as effective delivery vehicles for a variety of biologically and medically important cargoes such as therapeutic and imaging agents.

  9. New 3-D coordination polymers based on semi-rigid V-shape tetracarboxylates

    NASA Astrophysics Data System (ADS)

    Huang, Jing-Jing; Xu, Wei; Wang, Yan-Ning; Yu, Jie-Hui; Zhang, Ping; Xu, Ji-Qing

    2015-03-01

    Under the hydrothermal conditions, the reactions of transition-metal salts, tetracarboxylic acids and N,N‧-donor ligands yielded three new coordination polymers as [Cu4(fph)2(bpe)3(H2O)2]·2H2O (fph=4,4‧-(hexafluoroisopropylidene)diphthalate, bpe=1,2-bis(pyridyl)ethylene) 1, [Co2(fph)(bpa)2(H2O)2]·3H2O (bpa=1,2-bis(pyridyl)ethylane) 2, and [Ni(H2O)(H2oph)(bpa)] (oph=4,4‧-oxydiphthalate) 3. X-ray single-crystal diffraction analysis revealed that the title three compounds all possess the three-dimensional (3-D) network structures. For compound 1, the fph molecules first link the Cu2+ ions into a two-dimensional (2-D) wave-like layer with a (4,4) topology. The bpe molecules act as the second linkers, extending the 2-D layers into a 3-D network. For compound 2, the fph molecules still serve as the first connectors, linking the Co2+ ions into a one-dimensional (1-D) tube-like chain. Then the bpa molecules propagate the chains into a 3-D (4,4,4)-connected network. In the formation of the 3-D network of compound 3, the oph molecule does not play a role. The bpa molecules as well as the water molecules act as a mixed bridge. Only a kind of 4-connected metal node is observed in compound 3. The magnetic properties of compounds 1-3 were investigated and all exhibit the predominant antiferromegnetic magnetic behaviors.

  10. Soluble porous coordination polymers by mechanochemistry: from metal-containing films/membranes to active catalysts for aerobic oxidation.

    PubMed

    Zhang, Pengfei; Li, Haiying; Veith, Gabriel M; Dai, Sheng

    2015-01-14

    Soluble porous coordination polymers from mechanochemical synthesis are presented through a coordination polymerization between highly contorted, rigid tetraphenol and a broad variety of transition metal ions. These polymers can be easily cast as metal-containing films or freestanding membranes. Importantly, as-made coordination polymers are highly active and stable in the aerobic oxidation of allylic C-H bonds. PMID:25389070

  11. Three one-dimensional structural heating programs

    NASA Technical Reports Server (NTRS)

    Wing, L. D.

    1978-01-01

    Two computer programs for calculating profiles in a ten-element structure consisting of up to ten materials are presented, along with a third program for calculating the mean temperature for a payload container placed in an orbiting vehicle cargo bay. The three programs are related by the sharing of a common analytical technique; the energy balance is based upon one-dimensional heat transfer. The first program, NQLDW112, assumes a non-ablating surface. NQLDW117 is very similar but allows the outermost element to ablate. NQLDW040 calculates an average temperature profile through an idealized model of the real payload cannister and contents in the cargo bay of an orbiting vehicle.

  12. Electron transport in one-dimensional plasmas

    SciTech Connect

    Wienke, B.R.

    1983-11-01

    A one-dimensional, multigroup, discrete ordinates technique for computing electron energy deposition in plasmas is detailed. The Fokker-Planck collision operator is employed in the continuous approximation and electric fields (considered external) are included in the equation. Bremsstrahlung processes are not treated. Comparisons with analytic and Monte Carlo results are given. Fits to deposition profiles and energy scaling are proposed and discussed for monoenergetic and Maxwellian sources in the range, 0 to 150 keV, with and without uniform fields. The techniques employed to track electrons are generally useful in situations where the background plasma temperature is an order of magnitude smaller than the electron energy and collective plasma effects are negligible. We have used the approach successfully in laser pellet implosion applications.

  13. One-dimensional spin-orbit interferometer

    NASA Astrophysics Data System (ADS)

    Li, Tommy; Sushkov, Oleg P.

    2013-04-01

    We demonstrate that the combination of an external magnetic field and the intrinsic spin-orbit interaction results in nonadiabatic precession of the electron spin after transmission through a quantum point contact (QPC). We suggest that this precession may be observed in a device consisting of two QPCs situated in series. The pattern of resonant peaks in the transmission is strongly influenced by the non-Abelian phase resulting from this precession. Moreover, an unusual type of resonance which is associated with suppressed, rather than enhanced, transmission (i.e., antiresonance) emerges in the strongly nonadiabatic regime. The shift in the resonant transmission peaks is dependent on the spin-orbit interaction and therefore offers a way to directly measure these interactions in a ballistic one-dimensional system.

  14. Different geometrical arrangements in carboxylate coordination polymers of flexible dicarboxylic acid

    SciTech Connect

    Deka, Himangshu; Sarma, Rupam; Kumari, Satchi; Khare, Alika; Baruah, Jubaraj B.

    2011-07-15

    Dicarboxylate coordination polymers (1-5) of Mn(II), Ni(II), Cu(II), Zn(II) and Cd(II), respectively, derived from (7-carboxymethoxy-naphthalen-2-yloxy)-acetic acid (L{sub 1}H{sub 2}) are synthesized and characterized. Depending on the coordination sites around the metal centers and coordination mode of the ligand, dimensionality of these polymers varies. The dicarboxylates adopt three spatial orientations: in-plane linear coordination, out-of-plane cis coordination and out-of-plane trans coordination mode. Both the cis and trans out-of-plane coordination modes are found to exist only if the ancillary ligand pyridine is coordinated to the metal ion. When the aquoligand coordinates the in-plane linear coordination mode of L{sub 1} predominates. The coordination polymers 4 and 5 show photoluminescence in solution. The dicarboxylate of (5-carboxymethoxy-naphthalen-1-yloxy)-acetic acid (L{sub 2}H{sub 2}) does not form coordination polymer under ambient conditions, but prefers to remain as uncoordinated anion providing hydrophobic confinement to hexa-aquometal(II) cation. Compound 3 crystallizes in P2{sub 1} space group and it shows broadband ultra-violet fluorescence centered at 352.9 nm on focusing 632.8 nm He:Ne laser. - Graphical abstract: Different geometrical arrangements in coordination polymers derived from (7-carboxymethoxy-naphthalen-2-yloxy)-acetic acid of metal ions Mn(II), Ni(II), Cu(II), Zn(II) and Cd(II) are presented. The (5-carboxymethoxy-naphthalen-1-yloxy)-acetic acid led to hexa-aquo cadmium(II) dicarboxylate. Highlights: > Structural and spectroscopic characterizations of five dicarboxylate coordination polymers of (7-carboxymethoxy-naphthalen-2-yloxy)-acetic acid with different metal ions are presented. > Different geometrical arrangements of coordination polymers stabilized in solid state are described. > Photoluminescence properties of the polymers are shown. > NLO property of a copper coordination polymer is described.

  15. A two-dimensional zinc(II) coordination polymer based on mixed dimethyl succinate and bipyridine ligands: synthesis, structure, thermostability and luminescence properties.

    PubMed

    Liu, Yang; Feng, Yong Lan; Fu, Wei Wei

    2016-04-01

    From the viewpoint of crystal engineering, the construction of crystalline polymeric materials requires a rational choice of organic bridging ligands for the self-assembly process. Multicarboxylate ligands are of particular interest due to their strong coordination activity towards metal ions, as well as their various coordination modes and versatile conformations. The structural chemistry of dicarboxylate-based coordination polymers of transition metals has been developed through the grafting of N-containing organic linkers into carboxylate-bridged transition metal networks. A new luminescent two-dimensional zinc(II) coordination polymer containing bridging 2,2-dimethylsuccinate and 4,4'-bipyridine ligands, namely poly[[aqua(μ2-4,4'-bipyridine-κ(2)N:N')bis(μ3-2,2-dimethylbutanedioato)-κ(4)O(1),O(1'):O(4):O(4');κ(5)O(1):O(1),O(4):O(4),O(4')-dizinc(II)] dihydrate], {[Zn2(C6H8O4)2(C10H8N2)(H2O)]·2H2O}n, has been synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction and elemental, IR and thermogravimetric analyses. In the structure, the 2,2-dimethylsuccinate ligands link linear tetranuclear Zn(II) subunits into one-dimensional chains along the c axis. 4,4'-Bipyridine acts as a tethering ligand expanding these one-dimensional chains into a two-dimensional layered structure. Hydrogen-bonding interactions between the water molecules (both coordinated and free) and carboxylate O atoms strengthen the packing of the layers. Furthermore, the luminescence properties of the complex were investigated. The compound exhibits a blue photoluminescence in the solid state at room temperature and may be a good candidate for potential hybrid inorganic-organic photoactive materials.

  16. Unitary equivalent classes of one-dimensional quantum walks

    NASA Astrophysics Data System (ADS)

    Ohno, Hiromichi

    2016-09-01

    This study investigates unitary equivalent classes of one-dimensional quantum walks. We prove that one-dimensional quantum walks are unitary equivalent to quantum walks of Ambainis type and that translation-invariant one-dimensional quantum walks are Szegedy walks. We also present a necessary and sufficient condition for a one-dimensional quantum walk to be a Szegedy walk.

  17. Metal-controlled assembly tuning the topology and dimensionality of coordination polymers of Ag(I), Cd(II) and Zn(II) with the flexible 2-(1 H-imidazole-1-yl)acetic acid (Hima)

    NASA Astrophysics Data System (ADS)

    Wang, Yong-Tao; Tang, Gui-Mei; Wu, Yue; Qin, Xu-Yan; Qin, Da-Wei

    2007-04-01

    Three new, inorganic-organic coordination polymers based on a versatile linking unit 2-(1 H-imidazole-1-yl)acetate (ima) and Ag I, Cd II and Zn II ions, exhibiting one to three dimensionalities and different topology structures, have been prepared in water medium and structurally characterized by single-crystal X-ray diffraction analysis. Reaction of AgNO 3 with Hima afforded a neutral one-dimensional (1-D) chains [Ag(ima)] n ( 1) which exhibits a pseudo two-dimensional (2-D) layered architecture through π-π stacking interaction between imidazole rings and intermolecular Ag⋯Ag interactions. Reaction of CdCl 2 with Hima yielded neutral 2-D coordination polymers [Cd(ima) 2] n ( 2) possessing (6, 3) topology structures, which further stack into 3-D supramolecular networks through C-H⋯O weak interactions. While Zn(NO 3) 2 was used, a non-centric 3-D coordination polymer [Zn(ima) 2] n ( 3) featuring a 3-fold interpenetrating diamondoid net was isolated. Among these polymers, the building block ima anion exhibits different coordination modes. These results indicate that the versatile nature of this flexible ligand, together with the coordination preferences of the metal ions, play a critical role in construction of these novel coordination polymers. The spectral, thermal and SHG (second-harmonic generation) properties of these new materials have also been investigated.

  18. Mesoporous graphitic carbon nanodisks fabricated via catalytic carbonization of coordination polymers.

    PubMed

    Su, Panpan; Jiang, Liang; Zhao, Jiao; Yan, Jingwang; Li, Can; Yang, Qihua

    2012-09-11

    Mesoporous graphitic carbon nanodisks with hierarchical porous structure, facilely fabricated by catalytic carbonization of iron-based coordination polymer nanodisks, exhibit high capacitance even at high scan rates as electrode materials for electrochemical double layer capacitors.

  19. Syntheses, crystal structures and luminescent properties of two new 1D d {sup 1} coordination polymers constructed from 2,2'-bibenzimidazole and 1,4-benzenedicarboxylate

    SciTech Connect

    Wen Lili; Li Yizhi; Dang Dongbin; Tian Zhengfang; Ni Zhaoping; Meng Qingjin . E-mail: mengqj@nju.edu.cn

    2005-11-15

    Two novel interesting d {sup 1} metal coordination polymers, [Zn(H{sub 2}bibzim)(BDC)] {sub n} (1) and [Cd(H{sub 2}bibzim)(BDC)] {sub n} (2) [H{sub 2}bibzim=2,2'-bibenzimidazole, BDC=1,4-benzenedicarboxylate] have been synthesized under solvothermal conditions and structurally characterized. Both 1 and 2 are constructed from infinite neutral zigzag-like one-dimensional (1D) chains. The {pi}-{pi} interactions and interchain hydrogen-bonding interactions further extend the 1D arrangement to generate a 3D supramolecular architecture for 1 and 2. Both complexes have high thermal stability and display strong blue fluorescent emissions in the solid state upon photo-excitation at 365 nm at room temperature. They are the first two examples that 2,2'-bibenzimidazole has been introduced into the d {sup 1} coordination polymeric framework.

  20. Exciton quasicondensation in one-dimensional systems

    NASA Astrophysics Data System (ADS)

    Werman, Yochai; Berg, Erez

    2015-06-01

    Two Luttinger liquids, with an equal density and opposite sign of charge carriers, may exhibit enhanced excitonic correlations. We term such a system an exciton quasicondensate, with a possible realization being two parallel oppositely doped quantum wires, coupled by repulsive Coulomb interactions. We show that this quasiexciton condensate can be stabilized in an extended range of parameters, in both spinless and spinful systems. We calculate the interwire tunneling current-voltage characteristic, and find that a negative differential conductance is a signature of excitonic correlations. For spinful electrons, the excitonic regime is shown to be distinct from the usual quasi-long-range ordered Wigner crystal phase characterized by power-law density wave correlations. The two phases can be clearly distinguished through their interwire tunneling current-voltage characteristics. In the quasiexciton condensate regime the tunneling conductivity diverges at low temperatures and voltages, whereas in the Wigner crystal it is strongly suppressed. Both the Wigner crystal and the excitonic regime are characterized by a divergent Coulomb drag at low temperature. Finally, metallic carbon nanotubes are considered as a special case of such a one-dimensional setup, and it is shown that exciton condensation is favorable due to the additional valley degree of freedom.

  1. One-dimensional model of inertial pumping.

    PubMed

    Kornilovitch, Pavel E; Govyadinov, Alexander N; Markel, David P; Torniainen, Erik D

    2013-02-01

    A one-dimensional model of inertial pumping is introduced and solved. The pump is driven by a high-pressure vapor bubble generated by a microheater positioned asymmetrically in a microchannel. The bubble is approximated as a short-term impulse delivered to the two fluidic columns inside the channel. Fluid dynamics is described by a Newton-like equation with a variable mass, but without the mass derivative term. Because of smaller inertia, the short column refills the channel faster and accumulates a larger mechanical momentum. After bubble collapse the total fluid momentum is nonzero, resulting in a net flow. Two different versions of the model are analyzed in detail, analytically and numerically. In the symmetrical model, the pressure at the channel-reservoir connection plane is assumed constant, whereas in the asymmetrical model it is reduced by a Bernoulli term. For low and intermediate vapor bubble pressures, both models predict the existence of an optimal microheater location. The predicted net flow in the asymmetrical model is smaller by a factor of about 2. For unphysically large vapor pressures, the asymmetrical model predicts saturation of the effect, while in the symmetrical model net flow increases indefinitely. Pumping is reduced by nonzero viscosity, but to a different degree depending on the microheater location. PMID:23496615

  2. A one dimensional model of population growth

    NASA Astrophysics Data System (ADS)

    Ribeiro, Fabiano L.; Ribeiro, Kayo N.

    2015-09-01

    In this work, a one dimensional population growth model is proposed. The model, based on the cooperative and competitive individual-individual distance-dependent interaction, allows us to get a full analytical solution. With this analytical approach, it was possible to investigate the dynamics of the population according to some parameters, as intrinsic growth rate, strength of the interaction between individuals, and the distance-dependent interaction. As a consequence of the individuals' interaction, a rich phase diagram to which the population has access was observed. The phases observed are: convergence to carrying capacity, exponential growth, divergence at finite time, and extinction. Moreover, it was also observed that some phases are strictly dependent on the initial condition. For instance, in the cooperative regime with negative intrinsic growth rate, the population can diverge or become extinct according to the initial population size. The phases accessible to the population can be seen as a macroscopic behavior which emerges from the interaction among the individuals (the microscopic level).

  3. Transport in a one-dimensional hyperconductor

    NASA Astrophysics Data System (ADS)

    Plamadeala, Eugeniu; Mulligan, Michael; Nayak, Chetan

    2016-03-01

    We define a "hyperconductor" to be a material whose electrical and thermal dc conductivities are infinite at zero temperature and finite at any nonzero temperature. The low-temperature behavior of a hyperconductor is controlled by a quantum critical phase of interacting electrons that is stable to all potentially gap-generating interactions and potentially localizing disorder. In this paper, we compute the low-temperature dc and ac electrical and thermal conductivities in a one-dimensional hyperconductor, studied previously by the present authors, in the presence of both disorder and umklapp scattering. We identify the conditions under which the transport coefficients are finite, which allows us to exhibit examples of violations of the Wiedemann-Franz law. The temperature dependence of the electrical conductivity, which is characterized by the parameter ΔX, is a power law, σ ∝1 /T1 -2 (2 -ΔX) when ΔX≥2 , down to zero temperature when the Fermi surface is commensurate with the lattice. There is a surface in parameter space along which ΔX=2 and ΔX≈2 for small deviations from this surface. In the generic (incommensurate) case with weak disorder, such scaling is seen at high temperatures, followed by an exponential increase of the conductivity lnσ ˜1 /T at intermediate temperatures and, finally, σ ∝1 /T2 -2 (2 -ΔX) at the lowest temperatures. In both cases, the thermal conductivity diverges at low temperatures.

  4. One-dimensional model of inertial pumping.

    PubMed

    Kornilovitch, Pavel E; Govyadinov, Alexander N; Markel, David P; Torniainen, Erik D

    2013-02-01

    A one-dimensional model of inertial pumping is introduced and solved. The pump is driven by a high-pressure vapor bubble generated by a microheater positioned asymmetrically in a microchannel. The bubble is approximated as a short-term impulse delivered to the two fluidic columns inside the channel. Fluid dynamics is described by a Newton-like equation with a variable mass, but without the mass derivative term. Because of smaller inertia, the short column refills the channel faster and accumulates a larger mechanical momentum. After bubble collapse the total fluid momentum is nonzero, resulting in a net flow. Two different versions of the model are analyzed in detail, analytically and numerically. In the symmetrical model, the pressure at the channel-reservoir connection plane is assumed constant, whereas in the asymmetrical model it is reduced by a Bernoulli term. For low and intermediate vapor bubble pressures, both models predict the existence of an optimal microheater location. The predicted net flow in the asymmetrical model is smaller by a factor of about 2. For unphysically large vapor pressures, the asymmetrical model predicts saturation of the effect, while in the symmetrical model net flow increases indefinitely. Pumping is reduced by nonzero viscosity, but to a different degree depending on the microheater location.

  5. Linking homogeneous and heterogeneous enantioselective catalysis through a self-assembled coordination polymer.

    PubMed

    García, José I; López-Sánchez, Beatriz; Mayoral, José A

    2008-11-01

    Combining the advantages of homogeneous and heterogeneous enantioselective catalysis is possible through self-supported copper coordination polymers, based on a new kind of ditopic chiral ligand bearing two azabis(oxazoline) moieties. When the coordination polymer is used to catalyze a cyclopropanation reaction, it becomes soluble in reaction conditions but precipitates after reaction completion, allowing easy recovery and efficient reuse in the same reaction up to 14 times.

  6. Bis(oxazoline)-based coordination polymers: a recoverable system for enantioselective Henry reactions.

    PubMed

    Angulo, Beatriz; García, José I; Herrerías, Clara I; Mayoral, José A; Miñana, Ana C

    2012-07-01

    An efficient release-capture strategy for the recovery and reuse of enantioselective catalysts in the Henry reaction is described. This strategy is based on the precipitation of an insoluble coordination polymer at the end of each reaction, allowing easy separation from products. The coordination polymer is formed through aggregation of Cu(II) ions with ditopic bisoxazoline-based chiral ligands. Up to 11 catalytic cycles have been conducted keeping good yields and enantioselectivities.

  7. Synthesis and Structure of a New Copper(II) Coordination Polymer Alternately Bridged by Oxamido and Carboxylate Groups: Evaluation of DNA/BSA Binding and Cytotoxic Activities.

    PubMed

    Jin, Xiao-Ting; Zheng, Kang; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei

    2015-08-01

    A new one-dimensional (1D) copper(II) coordination polymer {[Cu2 (dmaepox)(dabt)](NO3) · 0.5 H2 O}n , where H3 dmaepox and dabt denote N-benzoato-N'-(3-methylaminopropyl)oxamide and 2,2'-diamino-4,4'-bithiazole, respectively, was synthesized and characterized by single-crystal X-ray diffraction and other methods. The crystal structure analysis revealed that the two copper(II) ions are bridged alternately by cis-oxamido and carboxylato groups to form a 1-D coordination polymer with the corresponding Cu · · · Cu separations of 5.1946(19) and 5.038(2) Å. There is a three-dimensional supramolecular structure constructed by hydrogen bonding and π-π stacking interactions in the crystal. The reactivity towards herring sperm DNA (HS-DNA) and bovine serum albumin (BSA) indicated that the copper(II) polymer can interact with the DNA in the mode of intercalation, and bind to BSA responsible for quenching of tryptophan fluorescence by the static quenching mechanism. The in vitro cytotoxicity suggested that the copper(II) polymer exhibits cytotoxic effects against the selected tumor cell lines.

  8. Determination of tetracycline in milk by using nucleotide/lanthanide coordination polymer-based ternary complex.

    PubMed

    Tan, Hongliang; Ma, Chanjiao; Song, Yonghai; Xu, Fugang; Chen, Shouhui; Wang, Li

    2013-12-15

    The meta-organic coordination polymers have been emerged as fascinating nanomaterials because of their tunable nature. In this work, we employed lanthanide coordination polymer self-assembled from adenosine monophosphate (AMP) and europium ion (Eu(3+)) as receptor reagent and citrate (Cit) as ancillary ligand to construct a fluorescent sensor for the detection of tetracycline (Tc) in milk. The co-coordination of Cit and Tc with Eu(3+) on the surface of the coordination polymer AMP/Eu leads to the formation of ternary complex which emitted strong fluorescence due to the removal of coordinated water molecules and an intramolecular energy transfer from Tc to Eu(3+). The fluorescent intensity of Eu(3+) displayed a good linear response to Tc concentrations in the range of 0.1-20 μM with a detection limit of 60 nM. This method was successfully applied to determine the levels of Tc in milk, which is the first application of coordination polymer as a fluorescent sensor in real sample. Compared with other Eu(3+)-based fluorescent methods for Tc detection, the presented method allows simple, direct analysis of Tc without requiring special reaction media or complicated prepreparation processes. This straightforward strategy could be extended to the preparation of other lanthanide coordination polymer-based fluorescent probes for applications in biosensing, imaging, drug delivery, and so on.

  9. Coordinative nanoporous polymers synthesized with hydrogen-bonded columnar liquid crystals.

    PubMed

    Ishihara, Shinsuke; Furuki, Yusuke; Hill, Jonathan P; Ariga, Katsuhiko; Takeoka, Shinji

    2012-10-01

    In this paper, we report the development of nanoporous polymer which demonstrates the coordination property toward zinc porphyrin. A hydrogen-bonded columnar liquid crystalline precursor composed of a triphenylene template and three equivalent of the surrounding dendric amphiphile bearing a pyridyl head group and a polymerizable aliphatic chain, was covalently fixed by photopolymerization, and then the subsequent selective removal of the template successively resulted in a nanoporous polymer in which the pore wall is modified with pyridyl groups. The nanoporous polymer reflected the conformation of template, and displayed considerable coordination ability of the pyridyl groups towards zinc porphyrin. The coordinative nanoporous polymer is promising as a nano-scaled scaffold for the organization of dyes into functional supramolecular architectures.

  10. A series of Ti(IV)/Ti(III) coordination polymers: Structures and surface photoelectric properties

    NASA Astrophysics Data System (ADS)

    Li, Lei; Zhang, Li; Liu, Dong-Wei; Jin, Jing; Chi, Yu-Xian; Niu, Shu-Yun

    2012-02-01

    Three titanium coordination polymers, {[Ti(SO 4) 2(H 2O)]·0.5bipy·2H 2O} n1, {[Ti1(SO 4) 2(H 2O)]·[Ti2(SO 4) 2(H 2O)]·bipy·5H 2O} n2 and [Ti(tea)] n3 (bipy = 4,4'-bipyridine, H 3tea = triethanolamine) were synthesized and characterized by IR, UV-Vis absorption spectra, TG analysis, X-ray single crystal diffraction and surface photovoltage spectroscopy (SPS). The surface photoelectric properties of titanium coordination polymers were discussed emphatically by the SPS. The results of single crystal diffraction indicate that polymers 1 and 2 possess 1D infinite structure bridged by SO 42- groups and coordinated water molecules and further connected into supramolecular structures by hydrogen bonds. Polymer 3 possesses 2D infinite structure bridged by weak sub-coordinated Ti-O bonds. The results of SPS show that there are obvious photovoltage responses in the range of 300-500 nm, which indicates that they possess photoelectric conversion ability. The SPS of three titanium polymers were analyzed comparatively. It is found that the valence of central metal ions, coordination micro-environment and kinds of coordination atoms influence the results of the SPS. The SPS is associated with UV-Vis absorption spectra.

  11. A series of Ti(IV)/Ti(III) coordination polymers: structures and surface photoelectric properties.

    PubMed

    Li, Lei; Zhang, Li; Liu, Dong-Wei; Jin, Jing; Chi, Yu-Xian; Niu, Shu-Yun

    2012-02-01

    Three titanium coordination polymers, {[Ti(SO(4))(2)(H(2)O)]·0.5bipy·2H(2)O}(n)1, {[Ti1(SO(4))(2)(H(2)O)]·[Ti2(SO(4))(2)(H(2)O)]·bipy·5H(2)O}(n)2 and [Ti(tea)](n)3 (bipy=4,4'-bipyridine, H(3)tea=triethanolamine) were synthesized and characterized by IR, UV-Vis absorption spectra, TG analysis, X-ray single crystal diffraction and surface photovoltage spectroscopy (SPS). The surface photoelectric properties of titanium coordination polymers were discussed emphatically by the SPS. The results of single crystal diffraction indicate that polymers 1 and 2 possess 1D infinite structure bridged by SO(4)(2-) groups and coordinated water molecules and further connected into supramolecular structures by hydrogen bonds. Polymer 3 possesses 2D infinite structure bridged by weak sub-coordinated Ti-O bonds. The results of SPS show that there are obvious photovoltage responses in the range of 300-500 nm, which indicates that they possess photoelectric conversion ability. The SPS of three titanium polymers were analyzed comparatively. It is found that the valence of central metal ions, coordination micro-environment and kinds of coordination atoms influence the results of the SPS. The SPS is associated with UV-Vis absorption spectra.

  12. One-dimensional lipid bilayers on carbon nanotubes: Structure and properties

    NASA Astrophysics Data System (ADS)

    Artyukhin, Alexander Borisovich

    In this work we report design, assembly, and properties of one-dimensional lipid bilayers wrapped around polymer-coated carbon nanotubes. We propose to use this platform as a tool for interfacing nanomaterials with biological systems. We start by presenting a new general procedure for noncovalent modification of carbon nanotubes based on polyelectrolyte layer-by-layer assembly. We confirm formation of multilayer polymer structures around individual carbon nanotubes by transmission electron microscopy and confocal fluorescence microscopy, and demonstrate that sign of the outmost polymer layer controls surface properties of the multilayer assembly. We study how rigidity of a polymer chain influences its ability to adsorb onto high curvature substrates, such as carbon nanotubes. We then build the one-dimensional lipid bilayer structure by spontaneous assembly of lipid molecules in a continuous nanoshell around a template of a carbon nanotube wrapped with hydrophilic polymer cushion layers. We demonstrate that such one-dimensional lipid membranes are fluid and can heal defects, even over repeated damage-recovery cycles. Measured diffusion coefficients of lipid molecules in our polymer-supported bilayers are about 3 orders of magnitude lower than typical values for fluid lipid membranes, which we attribute to strong electrostatic polyelectrolyte-lipid interactions. To explore the potential for device integration of one-dimensional bilayers we investigate effect of polyelectrolyte multilayers on electrical properties of carbon nanotube transistors. We demonstrate that complex interaction of adsorbed species with the device substrate can produce significant and sometimes unexpected side effects on device characteristics. Finally, we fabricate transistors with suspended carbon nanotube channels and devise a method to transfer them in liquid. It allows us to assemble one-dimensional lipid membranes on carbon nanotube devices, characterize their electrical properties, and

  13. One-dimensional rigid film acoustic metamaterials

    NASA Astrophysics Data System (ADS)

    Ma, Fuyin; Wu, Jiu Hui; Huang, Meng

    2015-11-01

    We have designed a 1D film-type acoustic metamaterial structure consisting of several polymer films directly stacked on each other. It is experimentally revealed that the mass density law can be broken by such structures in the low frequency range. By comparing the sound transmission loss (STL) curves of structures with different numbers of cycles, materials and incident sound directions, several physical properties of the 1D film-type acoustic metamaterial are revealed, which consist of cyclical effects, surface effects and orientation effects. It is suggested that the excellent low frequency sound insulation capacity is influenced by both the cycle number and the stiffness of the film surface. Meanwhile, the surface effect plays a dominant role among these physical properties. Due to the surface acoustic property, for structures with a particular combination form, the STL dominated by the cyclical effects may reach saturation with increasing number of construction periods. Moreover, in some cases, the sound insulation ability is diverse for different sound incidence directions. This kind of 1D film-type periodic structure with these special physical properties provides a new concept for the regulation of sound waves.

  14. A multi-functional coordination polymer coexisting spontaneous chirality resolution and weak ferromagnetism

    SciTech Connect

    Li, Xiu-Hua; Zhang, Qi; Hu, Ping

    2014-10-15

    A multifunctional homochiral coordination polymer, [Co(H{sub 2}O)(BDC)(4,4′-BPY)]∙3H{sub 2}O (1) (H{sub 2}BDC=1,2-benzenedicarboxylate and 4,4′-BPY=4,4′-bipyridine), has been successfully isolated from Co(II) ions and mixed ligands (1,2-benzenedicarboxylate and 4,4′-bipyridine). Complex 1, which exhibits spontaneous chirality resolution and weak ferromagnetism, is built by chiral helices interconnected via end-to-end 4,4′-BPY bridges into a two-dimensional (2D) layer structure. - Graphical abstract: A 2D cobalt coordination polymer compound showing spontaneous chirality resolution and weak ferromagnetism. - Highlights: • A new 2D cobalt mix-ligand coordination polymer complex has been synthesized. • The cobalt coordination polymer complex shows spontaneous chirality resolution in solid state. • The cobalt coordination polymer complex displays dominant and weak intrachain ferromagnetic interactions.

  15. Direct synthesis of nanoporous carbon nitride fibers using Al-based porous coordination polymers (Al-PCPs).

    PubMed

    Hu, Ming; Reboul, Julien; Furukawa, Shuhei; Radhakrishnan, Logudurai; Zhang, Yuanjian; Srinivasu, Pavuluri; Iwai, Hideo; Wang, Hongjing; Nemoto, Yoshihiro; Suzuki, Norihiro; Kitagawa, Susumu; Yamauchi, Yusuke

    2011-07-28

    We report a new synthetic route for preparation of nanoporous carbon nitride fibers with graphitic carbon nitride polymers, by calcination of Al-based porous coordination polymers (Al-PCPs) with dicyandiamide (DCDA) under a nitrogen atmosphere.

  16. Numerical investigation of one-dimensional heat-flux calculations

    NASA Astrophysics Data System (ADS)

    Boyd, C. F.; Howell, A.

    1994-10-01

    New computer codes to determine the heat transfer rate from wind tunnel model surface temperature measurements have been developed for use in the Navy's Hypervelocity Wind Tunnel No. 9 (Tunnel 9). The existing code, which assumes one-dimensional (1D) conduction in a Cartesian coordinate system, accurately predicts 1D heat-flux when applied to flat or nearly flat geometries. Heating rates are overpredicted when the code is applied to cylindrical, spherical, and conical geometries. The over-prediction increases with larger test times and smaller radius of curvature. Heating rates are also over-predicted when the code is applied under a two-dimensional (2D) heating load that varies linearly in space. This over-prediction increases with larger test times and larger spatial gradient of heat-flux but is small for typical Tunnel 9 applications. Two new computer codes, which assume 1D conduction in cylindrical and spherical coordinates, accurately predict 1D heat-flux applied to cylindrical, spherical, and conical geometries. These two codes are online for use as a tool in evaluating heat transfer from Tunnel 9 data.

  17. Dimensional modulation and magnetic properties of triazole- and bis(triazole)-based copper(II) coordination polymers tuned by aromatic polycarboxylates

    SciTech Connect

    Zhang, Ju-Wen; Zhao, Wei; Lu, Qi-Lin; Luan, Jian; Qu, Yun; Wang, Xiu-Li

    2014-04-01

    Five new metal–organic coordination polymers ([Cu{sub 3}(μ{sub 2}-OH){sub 2}(atrz){sub 2}(nph){sub 2}(H{sub 2}O){sub 2}]·2H{sub 2}O){sub n} (1), ([Cu{sub 2}(μ{sub 3}-OH)(atrz)(1,2,4-btc)]·2H{sub 2}O){sub n} (2), ([Cu{sub 2}(μ{sub 3}-OH)(atrz)(1,2,4-btc)(H{sub 2}O)]·H{sub 2}O){sub n} (3), [Cu(dth){sub 0.5}(nph)(H{sub 2}O)]{sub n} (4) and [Cu(dth)(Hnip){sub 2}]{sub n} (5) [atrz=4-amino-1,2,4-triazole, dth=N,N'-di(4H-1,2,4-triazole)hexanamide, H{sub 2}nph=3-nitrophthalic acid, 1,2,4-H{sub 3}btc=1,2,4-benzenetricarboxylic acid and H{sub 2}nip=5-nitroisophthalic acid] were hydrothermally synthesized and structurally characterized. Polymer 1 shows a one-dimensional (1D) chain. Polymers 2 and 3 exhibit similar tetranuclear Cu{sup II}{sub 4} cluster-based three-dimensional (3D) frameworks with the same components. Polymer 4 possesses a 3D framework with a 4{sup 12}·6{sup 3}-pcu topology. Polymer 5 displays a 3D framework with a 4{sup 4}·6{sup 10}·8-mab topology. The magnetic properties of 1–4 were investigated. - Graphical abstract: Five triazole-based copper(II) polymers modulated by polycarboxylates were synthesized. Bis-triazole-bis-amide ligand and polycarboxylates play important roles in tuning dimensionality of polymers. Magnetic properties of polymers were investigated. - Highlights: • Five triazole- and bis(triazole)-based copper(II) coordination polymers tuned by aromatic polycarboxylates were obtained. • The aromatic polycarboxylates have an important influence on the dimensionality of five polymers. • The magnetic properties of four polymers were investigated.

  18. Mixed ligand coordination polymers with flexible bis-imidazole linker and angular sulfonyldibenzoate: Crystal structure, photoluminescence and photocatalytic activity

    SciTech Connect

    Bisht, Kamal Kumar; Rachuri, Yadagiri; Parmar, Bhavesh; Suresh, Eringathodi

    2014-05-01

    Four ternary coordination polymers (CPs) namely, ([Ni(SDB)(BITMB)(H{sub 2}O)]·H{sub 2}O){sub n} (CP1), ([Cd(SDB)(BITMB) (H{sub 2}O)]·(THF)(H{sub 2}O)){sub n} (CP2), ([Zn{sub 2}(SDB){sub 2}(BITMB)]·(THF){sub 2}){sub n} (CP3) and ([Co{sub 2}(SDB){sub 2}(BITMB)]·(Dioxane){sub 3}){sub n} (CP4) composed of angular dicarboxylate SDB (4,4'-sulfonyldibenzoate) and N-donor BITMB (1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethyl benzene) have been synthesized by solvothermal reactions and characterized by single crystal X-ray diffraction and other physico-chemical techniques. CP1 possesses one-dimensional ribbon type metal–organic motifs glued together by H-bonds and π⋯π interactions, whereas CP2–CP4, exhibit non-interpenetrated sql networks supported by weak supramolecular interactions. Structural diversity of these CPs can be attributed to the coordination geometry adopted by the metal nodes, versatile coordination modes of SDB and conformational flexibility of BITMB. Solid state luminescence properties of CP1–CP4 were explored. Photocatalytic performance of all CPs for the decomposition of metanil yellow by dilute hydrogen peroxide in the presence of visible light was also investigated. 25–83% dye removal from aqueous solutions in the presence of CP1–CP4 was observed. - Graphical abstract: Four new ternary transition metal CPs have been hydrothermally prepared and their structural aspects as well as photocatalytic activity for decolourization of metanil yellow (MY) dye have been investigated. - Highlights: • Four ternary coordination polymers containing Ni, Cd, Zn and Co center are prepared. • Crystal structure and thermal stability of all four CPs has been described. • PL and diffuse reflectance spectra of synthesized CPs have also been examined. • Band gap values suggest semiconducting behavior of prepared CPs. • Photocatalytic activity of CPs for oxidative degradation of metanil yellow is studied.

  19. Selective sorption of oxygen and nitric oxide by an electron-donating flexible porous coordination polymer.

    PubMed

    Shimomura, Satoru; Higuchi, Masakazu; Matsuda, Ryotaro; Yoneda, Ko; Hijikata, Yuh; Kubota, Yoshiki; Mita, Yoshimi; Kim, Jungeun; Takata, Masaki; Kitagawa, Susumu

    2010-08-01

    Porous coordination polymers are materials formed from metal ions that are bridged together by organic linkers and that can combine two seemingly contradictory properties-crystallinity and flexibility. Porous coordination polymers can therefore create highly regular yet dynamic nanoporous domains that are particularly promising for sorption applications. Here, we describe the effective selective sorption of dioxygen and nitric oxide by a structurally and electronically dynamic porous coordination polymer built from zinc centres and tetracyanoquinodimethane (TCNQ) as a linker. In contrast to a variety of other gas molecules (C(2)H(2), Ar, CO(2), N(2) and CO), O(2) and NO are accommodated in its pores. This unprecedented preference arises from the concerted effect of the charge-transfer interaction between TCNQ and these guests, and the switchable gate opening and closing of the pores of the framework. This system provides further insight into the efficient recognition of small gas molecules.

  20. Three new homochiral coordination polymers involving two three-dimensional structural architectures: Syntheses, structures and magnetic properties

    SciTech Connect

    Chao, Tzu-Ling; Yang, Chen-I.

    2014-03-15

    The preparations and properties of three new homochiral three-dimensional (3D) coordination polymers, [M(D-cam)(pyz)(H{sub 2}O){sub 2}]{sub n} (M=Co (1) and Ni (2); D-H{sub 2}cam=(+) D-camphoric acid; pyz=pyrazine) and [Mn{sub 2}(D-cam){sub 2}(H{sub 2}O){sub 2}] (3), under solvothermal conditions is described. Single-crystal X-ray diffraction analyses revealed that all of compounds are homochiral 3D structure. 1 and 2 are isostructural and crystallize in the trigonal space group P3{sub 2}21, while 3 crystallizes in monoclinic space group P2{sub 1}. The structure of 1 and 2 consists of metal-D-cam helical chains which are pillared with pyrazine ligands into a 3D framework structure and 3 features a 3D homochiral framework involving one-dimensional manganese-carboxylate chains that are aligned parallel to the b axis. Magnetic susceptibility data of all compounds were collected. The findings indicate that μ{sub 2}-pyrazine dominate weak antiferromagnetic coupling within 1 and 2, while 3 exhibits antiferromagnetic behavior through the carboxylate groups of D-cam ligand. -- Graphical abstract: The preparations and properties of three new homochiral three-dimensional (3D) coordination polymers, [M(D-cam)(pyz)(H{sub 2}O){sub 2}]{sub n} (M=Co (1) and Ni (2); D-H{sub 2}cam=(+) D-camphoric acid; pyz=pyrazine) and [Mn{sub 2}(D-cam){sub 2}(H{sub 2}O){sub 2}] (3), under solvothermal conditions is described. Single-crystal X-ray diffraction analyses revealed that all of compounds are homochiral 3D structure. 1 and 2 are isostructural and crystallize in the trigonal space group P3{sub 2}21, while 3 crystallizes in monoclinic space group P2{sub 1}. The structure of 1 and 2 consists of metal-D-cam helical chains which are pillared with pyrazine ligands into a 3D framework structure and 3 features a 3D homochiral framework involving one-dimensional manganese-carboxylate chains that are aligned parallel to the b axis. Magnetic susceptibility data of all compounds were collected. The

  1. Loading of a coordination polymer nanobelt on a functional carbon fiber: a feasible strategy for visible-light-active and highly efficient coordination-polymer-based photocatalysts.

    PubMed

    Xu, Xin-Xin; Yang, Hong-Yu; Li, Zhen-Yu; Liu, Xiao-Xia; Wang, Xiu-Li

    2015-02-23

    To improve the photocatalytic properties of coordination polymers under irradiation in the visible-light region, coordination polymer nanobelts (CPNB) were loaded on functional carbon fiber (FCF) through the use of a simple colloidal blending process. The resulting coordination polymer nanobelt loaded functional carbon fiber composite material (CPNB/FCF) exhibited dramatically improved photocatalytic activity for the degradation of rhodamine B (RhB) under visible-light irradiation. Optical and electrochemical methods illustrated the enhanced photocatalytic activity of CPNB/FCF originated from high separation efficiency of photogenerated electrons and holes on the interface of CPNB and FCF, which was produced by the synergy effect between them. In the composite material, the role of FCF could be described as photosensitizer and good electron transporter. For FCF, the number of functional groups on its surface has a significant influence on the photocatalytic performance of the resulting CPNB/FCF composite material, and an ideal FCF carrier was obtained as a highly efficient CPNB/FCF photocatalyst. CPNB/FCF showed outstanding stability during the degradation of rhodamine B (RhB); thus, the material is suitable for use as a photocatalyst in the treatment of organic dyes in water.

  2. A new nano-scale manganese (II) coordination polymer constructed from semicarbazone Schiff base and dicyanamide ligands: Synthesis, crystal structure and DFT calculations

    NASA Astrophysics Data System (ADS)

    Farhadi, Saeed; Mahmoudi, Farzaneh; Simpson, Jim

    2016-03-01

    A new nano-structured Mn(II) coordination polymer [Mn(HL)(dca)(Cl)]n(1), [HL= Pyridine-2-carbaldehyde semicarbazone, dca= dicyanamide] has been synthesized by a sonochemical method and has been characterized by scanning electron microscopy, X-ray powder diffraction elemental analysis and IR spectroscopy. Single crystals of compound 1 was synthesized by slow evaporation method and was structurally characterised by single crystal X-ray diffraction. The single crystal structure shows one dimensional zig-zag chains with end-to-end dicyanamide-bridged ligand. A distorted octahedral geometry around the Mn2+centers was achieved by NNO atoms from HL, two nitrogen atoms of dicyanamide and one chlorine atom. Also for more details, the structure of 1, has been optimized by density functional theory (DFT calculations).

  3. One Unique 1D Silver(I)-Bromide-Thiol Coordination Polymer Used for Highly Efficient Chemiresistive Sensing of Ammonia and Amines in Water.

    PubMed

    Wang, Fan; Wang, Yu-Ting; Yu, Hong; Chen, Jin-Xiang; Gao, Bin-Bin; Lang, Jian-Ping

    2016-09-19

    Reaction of AgBr with TabHPF6 (TabH = 4-(trimethylammonio)benzenethiol) readily produces a unique one-dimensional coordination polymer [(TabH)(AgBr2)]n (1), consisting of anionic chains [AgBr2]n(n-) with hydrogen bonds to TabH(+) cations. By examining its electrical resistance and stability upon exposure to ammonia and seven common organic amines in water under ambient conditions, compound 1 is found to exhibit good stability and reproducibly high sensitivity toward these analytes at low concentrations. Especially, it can selectively detect NH3 in water with the detection limit as low as 0.05 ppm. This chemiresistive sensing system has the potential for highly efficient monitoring of ammonia and amines responsible for water pollution, eutrophication, food contamination, and industrial hazards. PMID:27579781

  4. Influence of the supramolecular order on the electrical properties of 1D coordination polymers based materials

    NASA Astrophysics Data System (ADS)

    Musumeci, Chiara; Osella, Silvio; Ferlauto, Laura; Niedzialek, Dorota; Grisanti, Luca; Bonacchi, Sara; Jouaiti, Abdelaziz; Milita, Silvia; Ciesielski, Artur; Beljonne, David; Hosseini, Mir Wais; Samorì, Paolo

    2016-01-01

    The generation, under self-assembly conditions, of coordination polymers on surface based combinations of a terpyridine-antracene-pyridine based tecton and Co(ii) or Pd(ii) cations is primarily governed by the coordination geometry of the metal center (octahedral and square planar respectively). While the octahedral Co(ii) based polymer self-assembles in insulating films exhibiting randomly oriented crystalline domains, the planarity of Pd(ii) based polymers leads to the formation of conductive π-π stacked fibrillar structures exhibiting anisotropically oriented domains. In the latter case, the favorable Pd-Pd and anthracene-anthracene wavefunction overlaps along the fiber direction are responsible for the large electronic couplings between adjacent chains, whereas small electronic couplings are instead found along individual polymer chains. These results provide important guidelines for the design of conductive metal coordination polymers, highlighting the fundamental role of both intra- as well as inter-chain interactions, thus opening up new perspectives towards their application in functional devices.The generation, under self-assembly conditions, of coordination polymers on surface based combinations of a terpyridine-antracene-pyridine based tecton and Co(ii) or Pd(ii) cations is primarily governed by the coordination geometry of the metal center (octahedral and square planar respectively). While the octahedral Co(ii) based polymer self-assembles in insulating films exhibiting randomly oriented crystalline domains, the planarity of Pd(ii) based polymers leads to the formation of conductive π-π stacked fibrillar structures exhibiting anisotropically oriented domains. In the latter case, the favorable Pd-Pd and anthracene-anthracene wavefunction overlaps along the fiber direction are responsible for the large electronic couplings between adjacent chains, whereas small electronic couplings are instead found along individual polymer chains. These results

  5. Ferromagnetic ordering of -[Sm(iii)-radical]n- coordination polymers.

    PubMed

    Fatila, Elisabeth M; Maahs, Adam C; Mills, Michelle B; Rouzières, Mathieu; Soldatov, Dmitriy V; Clérac, Rodolphe; Preuss, Kathryn E

    2016-04-01

    [Sm(hfac)3(boaDTDA)]n is the first coordination compound of a thiazyl-based neutral radical ligand to exhibit ferromagnetic ordering; TC = 3 K. The [Sm(iii)-radical]n species is soluble in common organic solvents and can be sublimed quantitatively. A McConnell I mechanism is implicated in local exchange pathways that contribute to cooperative magnetic properties.

  6. Amphiphilic nanocapsules entangled with organometallic coordination polymers for controlled cargo release.

    PubMed

    Liang, Guodong; Ni, Huan; Bao, Suping; Zhu, Fangming; Gao, Haiyang; Wu, Qing; Tang, Ben Zhong

    2014-06-01

    A class of new amphiphilic nanocapsules entangled with organometallic coordination polymers has been developed for the first time. Poly(2-(N,N-dimethyl amino)ethyl methacrylate)-b-polystyrene capped with β-cyclodextrin (β-CD) (CD-PDMAEMA-b-PS) is first synthesized using sequent RAFT polymerization of styrene and 2-(N,N-dimethyl amino)ethyl methacrylate with xanthate modified β-CD as chain transfer agent. The end group of β-CD is allowed to include 4,4'-bipyridine through host-guest inclusion to yield PDMAEMA-b-PS terminated with an inclusion complex of β-CD and bipyridine (bpy-PDMAEMA-b-PS), which is then used as surfactant to prepare emulsion droplets in toluene/water mixture. Upon addition of Ni(II), bipyridine coordinates with Ni(II) to form coordination polymers in the periphery of emulsion droplets, affording amphiphilic capsules entangled with organometallic coordination polymers, as confirmed by GPC, (1)H NMR, SEM, TEM, DLS, and so on. The organometallic coordination polymer capsules are capable of encapsulating organic cargoes. Interestingly, encapsulated cargoes can be extracted from the capsules without damaging the capsules. Such capsules are potential candidates for encapsulating and controlled release of organic cargoes. PMID:24828951

  7. Ferroelectric Coordination Polymers Self-Assembled from Mesogenic Zinc(II) Porphyrin and Dipolar Bridging Ligands.

    PubMed

    Hui, Joseph K-H; Kishida, Hiroyuki; Ishiba, Keita; Takemasu, Kenta; Morikawa, Masa-Aki; Kimizuka, Nobuo

    2016-09-26

    A new class of ferroelectric coordination-based polymers has been developed by the self-assembly of lipophilic zinc porphyrin (ZnP) and ditopic bridging ligands. The ligands contain dipolar benzothiadiazole or fluorobenzene units, which are axially coordinated to ZnP with the dipole moments oriented perpendicular to the coordination axes. The coordination-based polymers show ferroelectric characteristics in the liquid crystalline state, as revealed by distinctive hysteresis in the polarization-electric field (P-E) loops and inversion current peaks in current-voltage (I-V) loops. The observed ferroelectric properties are explainable by flip-flop rotation of the dipolar axle ligands induced by the applied electric field, as demonstrated by the positive-up-negative-down (PUND) measurements. The present system provides a new operating principle in supramolecular ferroelectrics.

  8. Ferroelectric Coordination Polymers Self-Assembled from Mesogenic Zinc(II) Porphyrin and Dipolar Bridging Ligands.

    PubMed

    Hui, Joseph K-H; Kishida, Hiroyuki; Ishiba, Keita; Takemasu, Kenta; Morikawa, Masa-Aki; Kimizuka, Nobuo

    2016-09-26

    A new class of ferroelectric coordination-based polymers has been developed by the self-assembly of lipophilic zinc porphyrin (ZnP) and ditopic bridging ligands. The ligands contain dipolar benzothiadiazole or fluorobenzene units, which are axially coordinated to ZnP with the dipole moments oriented perpendicular to the coordination axes. The coordination-based polymers show ferroelectric characteristics in the liquid crystalline state, as revealed by distinctive hysteresis in the polarization-electric field (P-E) loops and inversion current peaks in current-voltage (I-V) loops. The observed ferroelectric properties are explainable by flip-flop rotation of the dipolar axle ligands induced by the applied electric field, as demonstrated by the positive-up-negative-down (PUND) measurements. The present system provides a new operating principle in supramolecular ferroelectrics. PMID:27527513

  9. Tunable emission in lanthanide coordination polymer gels based on a rationally designed blue emissive gelator.

    PubMed

    Sutar, Papri; Suresh, Venkata M; Maji, Tapas Kumar

    2015-06-18

    Rational design and synthesis of a new low molecular weight gelator (LMWG) having 9,10-diphenylanthracene core and terminal terpyridine is reported. Tb(III) and Eu(III) ion coordination to a LMWG results in green and pink emissive coordination polymer gels, respectively, with coiled nanofiber morphology. Further, control over stoichiometry of LMWG:Tb(III):Eu(III) leads to yellow and white light emitting bimetallic gels. PMID:25995095

  10. On the Importance of Noncovalent Carbon-Bonding Interactions in the Stabilization of a 1D Co(II) Polymeric Chain as a Precursor of a Novel 2D Coordination Polymer.

    PubMed

    Pal, Pampi; Konar, Saugata; Lama, Prem; Das, Kinsuk; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata

    2016-07-14

    A new cobalt(II) coordination polymer 2 with μ1,5 dicyanamide (dca) and a bidentate ligand 3,5-dimethyl-1-(2'-pyridyl)pyrazole (pypz) is prepared in a stepwise manner using the newly synthesized one-dimensional linear Co(II) coordination polymer 1 as a precursor. The structural and thermal characterizations elucidate that the more stable complex 2 shows a two-dimensional layer structural feature. Here, Co(II) atoms with μ1,5 dicyanamido bridges are linked by the ligand pypz forming a macrocyclic chain that runs along the crystallographic 'c' axis having 'sql' (Shubnikov notation) net topology with a 4-connected uninodal node having point symbol {4(4).6(2)}. The remarkable noncovalent carbon-bonding contacts detected in the X-ray structure of compound 1 are analyzed and characterized by density functional theory calculations and the analysis of electron charge density (atoms in molecules). PMID:27295490

  11. On the Importance of Noncovalent Carbon-Bonding Interactions in the Stabilization of a 1D Co(II) Polymeric Chain as a Precursor of a Novel 2D Coordination Polymer.

    PubMed

    Pal, Pampi; Konar, Saugata; Lama, Prem; Das, Kinsuk; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata

    2016-07-14

    A new cobalt(II) coordination polymer 2 with μ1,5 dicyanamide (dca) and a bidentate ligand 3,5-dimethyl-1-(2'-pyridyl)pyrazole (pypz) is prepared in a stepwise manner using the newly synthesized one-dimensional linear Co(II) coordination polymer 1 as a precursor. The structural and thermal characterizations elucidate that the more stable complex 2 shows a two-dimensional layer structural feature. Here, Co(II) atoms with μ1,5 dicyanamido bridges are linked by the ligand pypz forming a macrocyclic chain that runs along the crystallographic 'c' axis having 'sql' (Shubnikov notation) net topology with a 4-connected uninodal node having point symbol {4(4).6(2)}. The remarkable noncovalent carbon-bonding contacts detected in the X-ray structure of compound 1 are analyzed and characterized by density functional theory calculations and the analysis of electron charge density (atoms in molecules).

  12. Supramolecular polymers with tunable topologies via hierarchical coordination-driven self-assembly and hydrogen bonding interfaces

    PubMed Central

    Yan, Xuzhou; Li, Shijun; Pollock, James Bryant; Cook, Timothy R.; Chen, Jianzhuang; Zhang, Yanyan; Ji, Xiaofan; Yu, Yihua; Huang, Feihe; Stang, Peter J.

    2013-01-01

    A powerful strategy to obtain complex supramolecular materials is the bottom-up construction of noncovalently bound materials by hierarchical self-assembly. This assembly process involves stepwise, uniform increases to the architectural complexity of a substrate, starting from discrete precursors and growing in dimensionality through controlled reactivity to a final product. Herein, two orthogonal processes are exploited: coordination-driven self-assembly and hydrogen bonding. The former relies on the predictable formation of metal–ligand bonds wherein the directionalities of the rigid precursors used determines the structural outcome. The latter uses 2-ureido-4-pyrimidinone interfaces that are structurally robust by virtue of the quadruple hydrogen bonding that can occur between subunits. By combining these two processes into a single system, it is possible to generate hierarchical materials that preserve the attractive tunability associated with discrete supramolecular coordination complexes. For instance, the synthesis of a one-dimensional chain comprising linked metalla-rhomboids is readily adapted to a 2D cross-linked hexagonal network by simply selecting a different metal acceptor precursor as an assembly component. The specific interactions between subunits, in this case platinum(II)-pyridyl bonds and the quadruple H-bonding of ureidopyrimidinone, are unchanged, establishing a unique strategy to obtain supramolecular polymers with marked topological differences with minimal synthetic redesign. In addition, the structural rigidity imposed by the inclusion of the platinum metallacycles serves to minimize the formation of cyclic oligomers, increasing the efficacy of formation and improving the properties of the resultant materials. Furthermore, this study taps the potential of organoplatinum(II) metallacycles in materials science. PMID:24019475

  13. Extending framework based on the linear coordination polymers: Alternative chains containing lanthanum ion and acrylic acid ligand

    NASA Astrophysics Data System (ADS)

    Li, Hui; Guo, Ming; Tian, Hong; He, Fei-Yue; Lee, Gene-Hsiang; Peng, Shie-Ming

    2006-11-01

    One-dimensional alternative chains of two lanthanum complexes: [La( L1) 3(CH 3OH)(H 2O) 2]·5H 2O ( L1=anion of α-cyano-4-hydroxycinnamic acid ) 1 and [La( L2) 3(H 2O) 2]·3H 2O ( L2=anion of trans-3-(4-methyl-benzoyl)-acrylic acid) 2 were synthesized and structurally characterized by single-crystal X-ray diffraction, element analysis, IR and thermogravimetric analysis. The crystal structure data are as follows for 1: C 31H 36LaN 3O 17, triclinic, P-1, a=9.8279(4) Å, b=11.8278(5) Å, c=17.8730(7) Å, α=72.7960(10)°, β=83.3820(10)°, γ=67.1650(10)º, Z=2, R1=0.0377, wR2=0.0746; for 2: C 33H 37LaO 14, triclinic, P-1, a=8.7174(5) Å, b=9.9377(5) Å, c=21.153(2) Å, α=81.145(2)°, β=87.591(2)°, γ=67.345(5)°, Z=2, R1=0.0869, wR2=0.220. 1 is a rare example of the alternative chain constructed by syn-syn and anti-syn coordination mode of carboxylato ligand arranged along the chain alternatively. La(III) ions in 2 are linked by two η3-O bridges and four bridges (two η2-O and two η3-O) alternatively. Both of the linear coordination polymers grow into two- and three-dimensional networks by packing through extending hydrogen-bond network directed by ligands.

  14. Control of hierarchical polymer mechanics with bioinspired metal-coordination dynamics

    NASA Astrophysics Data System (ADS)

    Grindy, Scott C.; Learsch, Robert; Mozhdehi, Davoud; Cheng, Jing; Barrett, Devin G.; Guan, Zhibin; Messersmith, Phillip B.; Holten-Andersen, Niels

    2015-12-01

    In conventional polymer materials, mechanical performance is traditionally engineered via material structure, using motifs such as polymer molecular weight, polymer branching, or block copolymer design. Here, by means of a model system of 4-arm poly(ethylene glycol) hydrogels crosslinked with multiple, kinetically distinct dynamic metal-ligand coordinate complexes, we show that polymer materials with decoupled spatial structure and mechanical performance can be designed. By tuning the relative concentration of two types of metal-ligand crosslinks, we demonstrate control over the material’s mechanical hierarchy of energy-dissipating modes under dynamic mechanical loading, and therefore the ability to engineer a priori the viscoelastic properties of these materials by controlling the types of crosslinks rather than by modifying the polymer itself. This strategy to decouple material mechanics from structure is general and may inform the design of soft materials for use in complex mechanical environments. Three examples that demonstrate this are provided.

  15. Syntheses, structures and photoelectric properties of a series of Cd(II)/Zn(II) coordination polymers and coordination supramolecules

    NASA Astrophysics Data System (ADS)

    Jin, Jing; Han, Xiao; Meng, Qin; Li, Dan; Chi, Yu-Xian; Niu, Shu-Yun

    2013-01-01

    Five Cd(II)/Zn(II) complexes [Cd(1,2-bdc)(pz)2(H2O)]n (1), [Cd1Cd2(btec)(H2O)6]n (2), [Cd(3,4-pdc) (H2O)]n (3), [Zn(2,5-pdc)(H2O)4]·2H2O (4) and {[Zn(2,5-pdc)(H2O)2]·H2O}n (5) (H2bdc=1,2-benzenedicarboxylic acid, pz=pyrazole, H4btec=1,2,4,5-benzenetetracarboxylic acid, H2pdc=pyridine-dicarboxylic acid) were hydrothermally synthesized and characterized by single-crystal X-ray diffraction, surface photovoltage spectroscopy, XRD, TG analysis, IR and UV-vis spectra and elemental analysis. Structural analyses show that complexes 1-3 are 1D, 2D and 3D Cd(II) coordination polymers, respectively. Complex 4 is a mononuclear Zn(II) complex. Complex 5 is a 3D Zn(II) coordination polymer. The surface photoelectric properties of complexes were investigated by SPS. The results indicate that all complexes exhibit photoelectric responses in the range of 300-600 nm, which reveals that they all possess certain photoelectric conversion properties. By the comparative analyses, it can be found that the species and coordination micro-environment of central metal ion, the species and property of ligands affect the intensity and scope of photoelectric response.

  16. SUSY-hierarchy of one-dimensional reflectionless potentials

    SciTech Connect

    Maydanyuk, Sergei P. . E-mail: maidan@kinr.kiev.ua

    2005-04-01

    A class of one-dimensional reflectionless potentials is studied. It is found that all possible types of the reflectionless potentials can be combined into one SUSY-hierarchy with a constant potential. An approach for determination of a general form of the reflectionless potential on the basis of construction of such a hierarchy by the recurrent method is proposed. A general integral form of interdependence between superpotentials with neighboring numbers of this hierarchy, opening a possibility to find new reflectionless potentials, is found and has a simple analytical view. It is supposed that any possible type of the reflectionless potential can be expressed through finite number of elementary functions (unlike some presentations of the reflectionless potentials, which are constructed on the basis of soliton solutions or are shape invariant in one or many steps with involving scaling of parameters, and are expressed through series). An analysis of absolute transparency existence for the potential which has the inverse power dependence on space coordinate (and here tunneling is possible), i.e., which has the form V (x) = {+-} {alpha}/ vertical bar x-x{sub 0} vertical bar{sup n} (where {alpha} and x{sub 0} are constants, n is natural number), is fulfilled. It is shown that such a potential can be reflectionless at n = 2 only. A SUSY-hierarchy of the inverse power reflectionless potentials is constructed. Isospectral expansions of this hierarchy are analyzed.

  17. Multi-symplectic, Lagrangian, one-dimensional gas dynamics

    NASA Astrophysics Data System (ADS)

    Webb, G. M.

    2015-05-01

    The equations of Lagrangian, ideal, one-dimensional, compressible gas dynamics are written in a multi-symplectic form using the Lagrangian mass coordinate m and time t as independent variables, and in which the Eulerian position of the fluid element x = x(m, t) is one of the dependent variables. This approach differs from the Eulerian, multi-symplectic approach using Clebsch variables. Lagrangian constraints are used to specify equations for xm, xt, and St consistent with the Lagrangian map, where S is the entropy of the gas. We require St = 0 corresponding to advection of the entropy S with the flow. We show that the Lagrangian Hamiltonian equations are related to the de Donder-Weyl multi-momentum formulation. The pullback conservation laws and the symplecticity conservation laws are discussed. The pullback conservation laws correspond to invariance of the action with respect to translations in time (energy conservation) and translations in m in Noether's theorem. The conservation law due to m-translation invariance gives rise to a novel nonlocal conservation law involving the Clebsch variable r used to impose ∂S(m, t)/∂t = 0. Translation invariance with respect to x in Noether's theorem is associated with momentum conservation. We obtain the Cartan-Poincaré form for the system, and use it to obtain a closed ideal of two-forms representing the equation system.

  18. Geometric and electronic structures of one-dimensionally polymerized coronene molecules

    NASA Astrophysics Data System (ADS)

    Narita, Kohei; Okada, Susumu

    2016-06-01

    On the basis of density functional theory, we studied the energetics, geometries, and electronic structures of dicoronylene molecules (coronene dimers) and one-dimensionally polymerized coronene molecules. Our calculations showed that the relative stability of the coronene dimers and polymers strongly depends on the mutual arrangement of molecules with respect to the polymer or dimer directions: the coronene dimer and the polymer with six-membered rings in the intermolecular bonds are the most stable structures among the three possible intermolecular arrangements. The dimer possesses a large energy gap between the highest occupied and lowest unoccupied states, which is narrower than that of the isolated coronene. The polymers are semiconductors with a moderate direct band gap and a large indirect gap for the polymers with six- and four-membered rings and that with five-membered rings, respectively, indicating the possibility of the electronic structure control of polymers via the intermolecular arrangement.

  19. A novel three-dimensional AgI coordination polymer based on mixed naphthalene-1,5-disulfonate and aminoacetate ligands.

    PubMed

    Wu, Hua; Lü, Xiao-Li; Lü, Bo; Dong, Chang-Xun; Wu, Mei-Sheng

    2013-08-01

    The three-dimensional coordination polymer poly[[bis(μ₃-2-aminoacetato)di-μ-aqua-μ₃-(naphthalene-1,5-disulfonato)-hexasilver(I)] dihydrate], {[Ag₆(C₁₀H₆O₆S₂)(C₂H₄NO₂)₄(H₂O)₂]·2H₂O}n, based on mixed naphthalene-1,5-disulfonate (L1) and 2-aminoacetate (L2) ligands, contains two Ag(I) centres (Ag1 and Ag4) in general positions, and another two (Ag2 and Ag3) on inversion centres. Ag1 is five-coordinated by three O atoms from one L1 anion, one L2 anion and one water molecule, one N atom from one L2 anion and one AgI cation in a distorted trigonal-bipyramidal coordination geometry. Ag2 is surrounded by four O atoms from two L2 anions and two water molecules, and two AgI cations in a slightly octahedral coordination geometry. Ag3 is four-coordinated by two O atoms from two L2 anions and two AgI cations in a slightly distorted square geometry, while Ag4 is also four-coordinated by two O atoms from one L1 and one L2 ligand, one N atom from another L2 anion, and one AgI cation, exhibiting a distorted tetrahedral coordination geometry. In the crystal structure, there are two one-dimensional chains nearly perpendicular to one another (interchain angle = 87.0°). The chains are connected by water molecules to give a two-dimensional layer, and the layers are further bridged by L1 anions to generate a novel three-dimensional framework. Moreover, hydrogen-bonding interactions consolidate the network.

  20. Influence of the supramolecular order on the electrical properties of 1D coordination polymers based materials.

    PubMed

    Musumeci, Chiara; Osella, Silvio; Ferlauto, Laura; Niedzialek, Dorota; Grisanti, Luca; Bonacchi, Sara; Jouaiti, Abdelaziz; Milita, Silvia; Ciesielski, Artur; Beljonne, David; Hosseini, Mir Wais; Samorì, Paolo

    2016-01-28

    The generation, under self-assembly conditions, of coordination polymers on surface based combinations of a terpyridine-antracene-pyridine based tecton and Co(II) or Pd(II) cations is primarily governed by the coordination geometry of the metal center (octahedral and square planar respectively). While the octahedral Co(II) based polymer self-assembles in insulating films exhibiting randomly oriented crystalline domains, the planarity of Pd(II) based polymers leads to the formation of conductive π-π stacked fibrillar structures exhibiting anisotropically oriented domains. In the latter case, the favorable Pd-Pd and anthracene-anthracene wavefunction overlaps along the fiber direction are responsible for the large electronic couplings between adjacent chains, whereas small electronic couplings are instead found along individual polymer chains. These results provide important guidelines for the design of conductive metal coordination polymers, highlighting the fundamental role of both intra- as well as inter-chain interactions, thus opening up new perspectives towards their application in functional devices. PMID:26754960

  1. Synthesis and characterization of linear cerium(IV) Schiff-base coordination polymers

    SciTech Connect

    Chen, H.; Cronin, J.A.; Archer, R.D. . Dept. of Chemistry)

    1994-04-11

    The first soluble linear Schiff-base rare earth coordination polymer, catena-poly[cerium-(4)-[mu]-N,N[prime],N[double prime],N[prime][double prime]-tetrasalicylidene (3,3[prime]-diaminobenzidinato)-O,N,N[prime],O[prime],O[double prime],N[double prime],N[prime][double prime],O[prime][double prime

  2. A ladder type iron(II) coordination polymer with cooperative spin transition.

    PubMed

    Bauer, Wolfgang; Schlamp, Stephan; Weber, Birgit

    2012-10-21

    Ladder type 1D coordination polymers were synthesised with the aim to improve the spin crossover properties of the iron(II) complexes following the concepts of crystal engineering. A wide hysteresis loop (34 K) was observed if rigid linkers were used. The first X-ray structure for a 1D iron(II) ladder is reported.

  3. A barium based coordination polymer for the activity assay of deoxyribonuclease I.

    PubMed

    Song, Chan; Wang, Guan-Yao; Wang, Ya-Ling; Kong, De-Ming; Wang, Yong-Jian; Li, Yue; Ruan, Wen-Juan

    2014-10-01

    A new coordination polymer which shows an unusual 2D inorganic connectivity was constructed. This compound exhibits distinct fluorescence quenching ability to the dye-labeled single-stranded DNA probes with different lengths, based on which an analytical method was developed for the activity assay of deoxyribonuclease I.

  4. New Twists and Turns for Actinide Chemistry: Organometallic Infinite Coordination Polymers of Thorium Diazide.

    PubMed

    Monreal, Marisa J; Seaman, Lani A; Goff, George S; Michalczyk, Ryszard; Morris, David E; Scott, Brian L; Kiplinger, Jaqueline L

    2016-03-01

    Two organometallic 1D infinite coordination polymers and two organometallic monometallic complexes of thorium diazide have been synthesized and characterized. Steric control of these self-assembled arrays, which are dense in thorium and nitrogen, has also been demonstrated: infinite chains can be circumvented by using steric bulk either at the metallocene or with a donor ligand in the wedge. PMID:26865502

  5. Synthesis, crystal structure and properties of two 1D nano-chain coordination polymers constructed by lanthanide with pyridine-3,4-dicarboxylic acid and 1,10-phenanthroline

    SciTech Connect

    Song Huihua Li Yajuan; Song You; Han Zhangang; Yang Fang

    2008-05-15

    The hydrothermal reactions of LnCl{sub 3}.6H{sub 2}O (Ln=Eu, Tb), pyridine-3,4-dicarboxylic acid (3,4-pydaH{sub 2}), 1,10-phenthroline (phen) and NaOH in aqueous medium yield two metal-organic hybrid materials, [Eu{sub 2}(3,4-pyda){sub 3}(phen)(H{sub 2}O).H{sub 2}O]{sub n} (1) and [Tb{sub 2}(3,4-pyda){sub 3}(phen)(H{sub 2}O).H{sub 2}O]{sub n} (2), respectively. Both compounds have similar topology structure containing one-dimensional nano-chain, which is further assembled into a three-dimensional supramolecular network via {pi}-{pi} stacking interactions and hydrogen bonds. To the best of our knowledge, they represent the first example of nano-chain coordination polymers constructed by 3,4-pydaH{sub 2} and chelate heterocylic ligand. Interestingly, the 3,4-pyda anion exhibits three kinds of coordination modes in these complexes. The coordination modes of 3,4-pyda in complexes 1 and 2 have not been observed in other coordination polymers containing 3,4-pyda ligands. Compounds 1 and 2 exhibit strong fluorescent emission bands in the solid state at room temperature. Their magnetic analyses show that they exhibit different magnetic interactions. - Graphical abstract: Two novel lanthanide coordination polymers [M{sub 2}(pydc){sub 3}(phen)(H{sub 2}O).H{sub 2}O]{sub n} (M=Eu(1) and Tb(2), pydc=pyridine-3,4-dicarboxylate, phen=1,10-phenthroline) have been synthesized and characterized. Both compounds reveal a one-dimensional nano-chain, which is further assembled into a three-dimensional supramolecular network via {pi}-{pi} stacking interactions and hydrogen bonds. Their luminescent and magnetic properties have been investigated.

  6. Seawater-Assisted Self-Healing of Catechol Polymers via Hydrogen Bonding and Coordination Interactions.

    PubMed

    Li, Jincai; Ejima, Hirotaka; Yoshie, Naoko

    2016-07-27

    It is highly desirable to prevent crack formation in polymeric materials at an early stage and to extend their lifespan, particularly when repairs to these materials would be difficult for humans. Here, we designed and synthesized catechol-functionalized polymers that can self-heal in seawater through hydrogen bonding and coordination. These bioinspired acrylate polymers are originally viscous materials, but after coordination with environmentally safe, common metal cations in seawater, namely, Ca(2+) and Mg(2+), the mechanical properties of the polymers were greatly enhanced from viscous to tough, hard materials. Reduced swelling in seawater compared with deionized water owing to the higher osmotic pressure resulted in greater toughness (∼5 MPa) and self-healing efficiencies (∼80%). PMID:27377859

  7. Fabrication of a PANI/CPs composite material: a feasible method to enhance the photocatalytic activity of coordination polymers.

    PubMed

    Xu, Xin-Xin; Cui, Zhong-Ping; Qi, Ji; Liu, Xiao-Xia

    2013-03-21

    To improve the photocatalytic activity of a coordination polymer in the visible light region, polyaniline (PANI) was loaded onto its surface through a facile in situ chemical oxidation polymerization process. The resulting PANI loaded coordination polymer composite materials with excellent stability exhibit significantly higher photocatalytic activities than the pure coordination polymer photocatalyst on the degradation of methyl orange (MO) under visible light irradiation. This enhancement can be ascribed to the introduction of PANI on the surface of the coordination polymer, which leads to efficient separation of photogenerated electron-hole pairs as well as a significant expansion of the photoresponse region. Finally, we discussed the influence of acidity on the morphology and photocatalytic activity of the composite material. An optimal condition to obtain the PANI loaded coordination polymer composite material with excellent photocatalytic activity has been obtained.

  8. In situ ligand generation for novel Mn(II) and Ni(II) coordination polymers with disulfide ligand: Solvothermal syntheses, structures and magnetic properties

    SciTech Connect

    Han, Yinfeng Wang, Chang'an; Zheng, Zebao; Sun, Jiafeng; Nie, Kun; Zuo, Jian; Zhang, Jianping

    2015-07-15

    Two coordination polymers, ([Mn{sub 2}(L1){sub 2}(μ{sub 2}-H{sub 2}O)(H{sub 2}O){sub 4}]·5H{sub 2}O){sub n}1 and ([Ni(L1)(H{sub 2}O){sub 2}]·2H{sub 2}O){sub n}2 (H{sub 2}L1=2,2′-dithiobisnicotinic acid), were prepared by the solvothermal reactions of the Mn(II) or Ni(II) ions with 2-mercaptonanicotinic acid. In 1, the [Mn{sub 2}(COO){sub 4}] units are connected by the 2,2′-dithiobisnicotinic dianion to form a two-dimensional (4,4)-connected network. In 2, the adjacent Ni(II) ions are connected by the carboxyl groups of the 2,2′-dithiobisnicotinic dianion to form an one-dimensional inorganic rod-shaped chain [Ni(COO){sub 2}]{sub n}, which are further interconnected by the 2,2′-dithiobisnicotinic ligand, giving rise to a two-dimensional framework. Variable-temperature magnetic susceptibilities of 1 and 2 exhibit overall weak antiferromagnetic coupling between the adjacent metal ions. - Graphical abstract: Two 2D coordination polymers were synthesized by transition-metal/in-situ oxidation of 2-mercaptonicotinic acid. The compounds pack into 2D frameworks by the carboxyl groups of 2,2′-dithiobisnicotinic dianion and exhibit overall weak antiferromagnetic coupling. - Highlights: • Two 2D coordination polymers containing 2,2′-dithiobisnicotinic dianion. • In situ oxidation and dehydro coupling reaction of 2-mercaptonbenzoic acid. • Two compounds display weak antiferromagnetic exchanges.

  9. Synthesis and characterization of nanowire coils of organometallic coordination polymers for controlled cargo release.

    PubMed

    Liang, Guodong; Ni, Huan; Bao, Suping; Zhu, Fangming; Gao, Haiyang; Wu, Qing

    2014-06-12

    Nanowire coils of organometallic coordination polymers have been synthesized for the first time by using the emulsion periphery polymerization technique. An amphiphilic triblock copolymer terminated with inclusion complex of β-cyclodextrin and 4,4'-bipyridine self-assembles into oil-in-water emulsion in a toluene/water mixture. Subsequent coordination of bipyridine with Ni(II) in periphery of emulsions results in the formation of coordination polymer nanowire coils. The nanowire coils are composed of nanowires with diameter of 2 nm. Nanowire coils exhibit enhanced thermal stability in contrast to their parent triblock copolymer. Interestingly, nanowire coils are capable of encapsulating organic cargoes. Encapsulated cargoes can be selectively extracted from nanowire coils without damaging nanowire coils. Nanowire coils are potential candidates for encapsulating and controlled release of organic cargoes. PMID:24842771

  10. Synthesis of conjugated polymers containing gallium atoms and evaluation of conjugation through four-coordinate gallium atoms.

    PubMed

    Matsumoto, Takuya; Onishi, Yoshinobu; Tanaka, Kazuo; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Chujo, Yoshiki

    2014-12-25

    The synthesis and analysis of the electronic states of the main-chain type-organogallium polymers are presented. We synthesized the polymers containing four-coordinate gallium atoms by organometal coupling reactions. The synthesized polymers showed good solubility in common organic solvents and enough stability for measuring a series of properties under ambient conditions. In the UV-vis absorption spectra, the electronic interaction through four-coordinate gallium atoms was suggested from the peak shifts of the polymer compared to the model compounds. Theoretical calculation of these molecules supports the extended electronic interaction through the polymer main-chain involving gallium atoms.

  11. Bio-Inspired Composite Interfaces: Controlling Hydrogel Mechanics via Polymer-Nanoparticle Coordination Bond Dynamics

    NASA Astrophysics Data System (ADS)

    Holten-Andersen, Niels

    2015-03-01

    In soft nanocomposite materials, the effective interaction between polymer molecules and inorganic nanoparticle surfaces plays a critical role in bulk mechanical properties. However, controlling these interfacial interactions remains a challenge. Inspired by the adhesive chemistry in mussel threads, we present a novel approach to control composite mechanics via polymer-particle interfacial dynamics; by incorporating iron oxide nanoparticles (Fe3O4 NPs) into a catechol-modified polymer network the resulting hydrogels are crosslinked via reversible coordination bonds at Fe3O4 NP surfaces thereby providing a dynamic gel network with robust self-healing properties. By studying the thermally activated composite network relaxation processes we have found that the polymer-NP binding energy can be controlled by engineering both the organic and inorganic side of the interface.

  12. Metal coordination polymer derived mesoporous Co3O4 nanorods with uniform TiO2 coating as advanced anodes for lithium ion batteries

    NASA Astrophysics Data System (ADS)

    Geng, Hongbo; Ang, Huixiang; Ding, Xianguang; Tan, Huiteng; Guo, Guile; Qu, Genlong; Yang, Yonggang; Zheng, Junwei; Yan, Qingyu; Gu, Hongwei

    2016-01-01

    In this work, a one-dimensional Co3O4@TiO2 core-shell electrode material with superior electrochemical performance is fabricated by a convenient and controllable route. The approach involves two main steps: the homogeneous deposition of polydopamine and TiO2 layers in sequence on the cobalt coordination polymer and the thermal decomposition of the polymer matrix. The as-prepared electrode material can achieve excellent electrochemical properties and stability as an anode material for lithium ion batteries, such as a high specific capacity of 1279 mA h g-1, good cycling stability (around 803 mA h g-1 at a current density of 200 mA g-1 after 100 cycles), and stable rate performance (around 520 mA h g-1 at a current density of 1000 mA g-1). This dramatic electrochemical performance is mainly attributed to the excellent structural characteristics, which could improve the electrical conductivity and lithium ion mobility, as well as electrolyte permeability and architectural stability during cycling.In this work, a one-dimensional Co3O4@TiO2 core-shell electrode material with superior electrochemical performance is fabricated by a convenient and controllable route. The approach involves two main steps: the homogeneous deposition of polydopamine and TiO2 layers in sequence on the cobalt coordination polymer and the thermal decomposition of the polymer matrix. The as-prepared electrode material can achieve excellent electrochemical properties and stability as an anode material for lithium ion batteries, such as a high specific capacity of 1279 mA h g-1, good cycling stability (around 803 mA h g-1 at a current density of 200 mA g-1 after 100 cycles), and stable rate performance (around 520 mA h g-1 at a current density of 1000 mA g-1). This dramatic electrochemical performance is mainly attributed to the excellent structural characteristics, which could improve the electrical conductivity and lithium ion mobility, as well as electrolyte permeability and architectural

  13. Multifunctionality of organometallic quinonoid metal complexes: surface chemistry, coordination polymers, and catalysts.

    PubMed

    Kim, Sang Bok; Pike, Robert D; Sweigart, Dwight A

    2013-11-19

    Quinonoid metal complexes have potential applications in surface chemistry, coordination polymers, and catalysts. Although quinonoid manganese tricarbonyl complexes have been used as secondary building units (SBUs) in the formation of novel metal-organometallic coordination networks and polymers, the potentially wider applications of these versatile linkers have not yet been recognized. In this Account, we focus on these diverse new applications of quinonoid metal complexes, and report on the variety of quinonoid metal complexes that we have synthesized. Through the use of [(η(6)-hydroquinone)Mn(CO)3](+), we are able to modify the surface of Fe3O4 and FePt nanoparticles (NPs). This process occurs either by the replacement of oleylamine with neutral [(η(5)-semiquinone)Mn(CO)3] at the NP surface, or by the binding of anionic [(η(4)-quinone)Mn(CO)3](-) upon further deprotonation of [(η(5)-semiquinone)Mn(CO)3] at the NP surface. We have demonstrated chemistry at the intersection of surface-modified NPs and coordination polymers through the growth of organometallic coordination polymers onto the surface modified Fe3O4 NPs. The resulting magnetic NP/organometallic coordination polymer hybrid material exhibited both the unique superparamagnetic behavior associated with Fe3O4 NPs and the paramagnetism attributable to the metal nodes, depending upon the magnetic range examined. By the use of functionalized [(η(5)-semiquinone)Mn(CO)3] complexes, we attained the formation of an organometallic monolayer on the surface of highly ordered pyrolitic graphite (HOPG). The resulting organometallic monolayer was not simply a random array of manganese atoms on the surface, but rather consisted of an alternating "up and down" spatial arrangement of Mn atoms extending from the HOPG surface due to hydrogen bonding of the quinonoid complexes. We also showed that the topology of metal atoms on the surface could be controlled through the use of quinonoid metal complexes. A quinonoid

  14. Multifunctionality of organometallic quinonoid metal complexes: surface chemistry, coordination polymers, and catalysts.

    PubMed

    Kim, Sang Bok; Pike, Robert D; Sweigart, Dwight A

    2013-11-19

    Quinonoid metal complexes have potential applications in surface chemistry, coordination polymers, and catalysts. Although quinonoid manganese tricarbonyl complexes have been used as secondary building units (SBUs) in the formation of novel metal-organometallic coordination networks and polymers, the potentially wider applications of these versatile linkers have not yet been recognized. In this Account, we focus on these diverse new applications of quinonoid metal complexes, and report on the variety of quinonoid metal complexes that we have synthesized. Through the use of [(η(6)-hydroquinone)Mn(CO)3](+), we are able to modify the surface of Fe3O4 and FePt nanoparticles (NPs). This process occurs either by the replacement of oleylamine with neutral [(η(5)-semiquinone)Mn(CO)3] at the NP surface, or by the binding of anionic [(η(4)-quinone)Mn(CO)3](-) upon further deprotonation of [(η(5)-semiquinone)Mn(CO)3] at the NP surface. We have demonstrated chemistry at the intersection of surface-modified NPs and coordination polymers through the growth of organometallic coordination polymers onto the surface modified Fe3O4 NPs. The resulting magnetic NP/organometallic coordination polymer hybrid material exhibited both the unique superparamagnetic behavior associated with Fe3O4 NPs and the paramagnetism attributable to the metal nodes, depending upon the magnetic range examined. By the use of functionalized [(η(5)-semiquinone)Mn(CO)3] complexes, we attained the formation of an organometallic monolayer on the surface of highly ordered pyrolitic graphite (HOPG). The resulting organometallic monolayer was not simply a random array of manganese atoms on the surface, but rather consisted of an alternating "up and down" spatial arrangement of Mn atoms extending from the HOPG surface due to hydrogen bonding of the quinonoid complexes. We also showed that the topology of metal atoms on the surface could be controlled through the use of quinonoid metal complexes. A quinonoid

  15. Hardening transition in a one-dimensional model for ferrogels.

    PubMed

    Annunziata, Mario Alberto; Menzel, Andreas M; Löwen, Hartmut

    2013-05-28

    We introduce and investigate a coarse-grained model for quasi one-dimensional ferrogels. In our description the magnetic particles are represented by hard spheres with a magnetic dipole moment in their centers. Harmonic springs connecting these spheres mimic the presence of a cross-linked polymer matrix. A special emphasis is put on the coupling of the dipolar orientations to the elastic deformations of the matrix, where a memory effect of the orientations is included. Although the particles are displaced along one spatial direction only, the system already shows rich behavior: as a function of the magnetic dipole moment, we find a phase transition between "soft-elastic" states with finite interparticle separation and finite compressive elastic modulus on the one hand, and "hardened" states with touching particles and therefore diverging compressive elastic modulus on the other hand. Corresponding phase diagrams are derived neglecting thermal fluctuations of the magnetic particles. In addition, we consider a situation in which a spatially homogeneous magnetization is initially imprinted into the material. Depending on the strength of the magneto-mechanical coupling between the dipole orientations and the elastic deformations, the system then relaxes to a uniaxially ferromagnetic, an antiferromagnetic, or a spiral state of magnetization to minimize its energy. One purpose of our work is to provide a largely analytically solvable approach that can provide a benchmark to test future descriptions of higher complexity. From an applied point of view, our results could be exploited, for example, for the construction of novel damping devices of tunable shock absorbance.

  16. A new linear bismuth coordination polymer based on 1,10-phenanthroline-2,9-dicarboxylic acid: ionothermal synthesis, crystal structure and fluorescence properties.

    PubMed

    Feng, Yu-Quan; Hu, Yu-Long; Wang, Hong-Wei; Cao, Feng-Pu

    2015-08-01

    A new linear bismuth(III) coordination polymer, catena-poly[[chloridobismuth(III)]-μ3-1,10-phenanthroline-2,9-dicarboxylato-κ(6)O(2):O(2),N(1),N(10),O(9):O(9)], [Bi(C14H6N2O4)Cl]n, has been obtained by an ionothermal method and characterized by elemental analysis, energy-dispersive X-ray spectroscopy, IR spectroscopy, thermal stability studies and single-crystal X-ray diffraction. The structure is constructed by Bi(C14H6N2O4)Cl fragments in which each Bi(III) centre is seven-coordinated by one Cl atom, four O atoms and two N atoms. The coordination geometry of the Bi(III) cation is distorted pentagonal-bipyramidal (BiO4N2Cl), with one bridging carboxylate O atom and one Cl atom located in the axial positions. The Bi(C14H6N2O4)Cl fragments are further extended into a one-dimensional linear polymeric structure via subsequent but different centres of symmetry (bridging carboxylate O atoms). Neighbouring linear chains are assembled via weak C-H···O and C-H···Cl hydrogen bonds, forming a three-dimensional supramolecular architecture. Intermolecular π-π stacking interactions are observed, with centroid-to-centroid distances of 3.678 (4) Å, which further stabilize the structure. In addition, the solid-state fluorescence properties of the title coordination polymer were investigated. PMID:26243414

  17. Synthesis, Structure and Spectroscopy Study of a 1D Copper Coordination Polymer Based on a Carboxybenzyl Viologen Ligand and SCN-Anion.

    PubMed

    Qiu, Li-xia; Wan, Fang; Zhu, Bin-bin; Sun, Yan-qiong; You, Yi; Chen, Yi-ping

    2015-05-01

    A zwitterionic viologen derivative ligand, 1,1'-bis(4-carboxybenzyl)-4 4'-bipyridinium dichloride (H2BpybcCl2) as a multifunctional ligand, has been synthesized incorporating a 4,4'-bipyridine core with two carboxylate groups as a. building block, specifically designed for the rational construction of metal-organic frameworks. H2BpybcCl2 ligand is a multifunctional ligand that contains viologen's specific functions and carboxylate coordination groups. The coordination polymers of viologen carboxylate with copper thiocyanate are not reported to date. A novel copper coordination polymer, [Cu(SCN)2 (Bpybc)] (I) was by solution diffusion method and characterized by single-crystal X-ray diffraction, XRD, elemental analyses, IR spectroscopy, UV-Vis DRS, TG analysis and liquid-state luminescent properties. Compound I crystallized in the monoclinic system with C2/c space group. Crystal data for complex I is as follow: a=19. 508(4) A, b=9. 474(2) Å, c =16. 963(3) Å, α=90°, β=124. 92(3)°, γ=90°. Two SCN-anions were coordinated to the Cu2+ cation forming a [Cu(SCN)2] unit. Complex I was built up by [Cu(SCN)2] units bridged sequentially by ladder-shaped Bpybc ligands to form one-dimensional zigzag chains running along the [203] direction. The chains were held together by π-π interaction between the pyridine rings and phenyl rings, thus yielding a 3-D extended supramolecular network. The UV-Visible absorption spectra show the absorption bands of π-π* transitions of Bpybc ligands and d-->d transition of Cu2+. The liquid-state luminescent property of compound I was investigated at room temperature. Attractively, the complex exhibits strong blue emission peak at 533 nm (λEx=360 nn) that can be assigned to intraligand transition of Bpybc ligand when it was excited at 360 nm. PMID:26415457

  18. A new linear bismuth coordination polymer based on 1,10-phenanthroline-2,9-dicarboxylic acid: ionothermal synthesis, crystal structure and fluorescence properties.

    PubMed

    Feng, Yu-Quan; Hu, Yu-Long; Wang, Hong-Wei; Cao, Feng-Pu

    2015-08-01

    A new linear bismuth(III) coordination polymer, catena-poly[[chloridobismuth(III)]-μ3-1,10-phenanthroline-2,9-dicarboxylato-κ(6)O(2):O(2),N(1),N(10),O(9):O(9)], [Bi(C14H6N2O4)Cl]n, has been obtained by an ionothermal method and characterized by elemental analysis, energy-dispersive X-ray spectroscopy, IR spectroscopy, thermal stability studies and single-crystal X-ray diffraction. The structure is constructed by Bi(C14H6N2O4)Cl fragments in which each Bi(III) centre is seven-coordinated by one Cl atom, four O atoms and two N atoms. The coordination geometry of the Bi(III) cation is distorted pentagonal-bipyramidal (BiO4N2Cl), with one bridging carboxylate O atom and one Cl atom located in the axial positions. The Bi(C14H6N2O4)Cl fragments are further extended into a one-dimensional linear polymeric structure via subsequent but different centres of symmetry (bridging carboxylate O atoms). Neighbouring linear chains are assembled via weak C-H···O and C-H···Cl hydrogen bonds, forming a three-dimensional supramolecular architecture. Intermolecular π-π stacking interactions are observed, with centroid-to-centroid distances of 3.678 (4) Å, which further stabilize the structure. In addition, the solid-state fluorescence properties of the title coordination polymer were investigated.

  19. Uranium(VI) coordination polymers with pyromellitate ligand: Unique 1D channel structures and diverse fluorescence

    SciTech Connect

    Zhang, Yingjie; Bhadbhade, Mohan; Karatchevtseva, Inna; Price, Jason R.; Liu, Hao; Zhang, Zhaoming; Kong, Linggen; Čejka, Jiří; Lu, Kim; Lumpkin, Gregory R.

    2015-03-15

    Three new coordination polymers of uranium(VI) with pyromellitic acid (H{sub 4}btca) have been synthesized and structurally characterized. (ED)[(UO{sub 2})(btca)]·(DMSO)·3H{sub 2}O (1) (ED=ethylenediammonium; DMSO=dimethylsulfoxide) has a lamellar structure with intercalation of ED and DMSO. (NH{sub 4}){sub 2}[(UO{sub 2}){sub 6}O{sub 2}(OH){sub 6}(btca)]·~6H{sub 2}O (2) has a 3D framework built from 7-fold coordinated uranyl trinuclear units and btca ligands with 1D diamond-shaped channels (~8.5 Å×~8.6 Å). [(UO{sub 2}){sub 2}(H{sub 2}O)(btca)]·4H{sub 2}O (3) has a 3D network constructed by two types of 7-fold coordinated uranium polyhedron. The unique μ{sub 5}-coordination mode of btca in 3 enables the formation of 1D olive-shaped large channels (~4.5 Å×~19 Å). Vibrational modes, thermal stabilities and fluorescence properties have been investigated. - Graphical abstract: Table of content: three new uranium(VI) coordination polymers with pyromellitic acid (H{sub 4}btca) have been synthesized via room temperature and hydrothermal synthesis methods, and structurally characterized. Two to three dimensional (3D) frameworks are revealed. All 3D frameworks have unique 1D large channels. Their vibrational modes, thermal stabilities and photoluminescence properties have been investigated. - Highlights: • Three new coordination polymers of U(VI) with pyromellitic acid (H{sub 4}btca). • Structures from a 2D layer to 3D frameworks with unique 1D channels. • Unusual µ{sub 5}-(η{sub 1}:η{sub 2}:η{sub 1}:η{sub 2:}η{sub 1}) coordination mode of btca ligand. • Vibrational modes, thermal stabilities and luminescent properties reported.

  20. Synthesis, crystal structures and luminescent properties of two 4d-4f Ln-Ag heterometallic coordination polymers based on anion template

    SciTech Connect

    Fan, Le-Qing; Chen, Yuan; Wu, Ji-Huai; Huang, Yun-Fang

    2011-04-15

    Two new 4d-4f Ln-Ag heterometallic coordination polymers, {l_brace}[Ln{sub 3}Ag{sub 5}(IN){sub 10}(H{sub 2}O){sub 7}].4(ClO{sub 4}).4(H{sub 2}O){r_brace}{sub n} (Ln=Eu (1) and Sm (2), HIN=isonicotinic acid), have been synthesized under hydrothermal conditions by reactions of Ln{sub 2}O{sub 3}, AgNO{sub 3}, HIN and HClO{sub 4}, and characterized by elemental analysis, IR, thermal analysis and single-crystal X-ray diffraction. It is proved that HClO{sub 4} not only adjusts the pH value of the reaction mixture, but also acts as anion template. The structure determination reveals that 1 and 2 are isostructural and feature a novel two-dimensional (2D) layered hetrometallic structure constructed from one-dimensional Ln-carboxylate chains and pillared Ag(IN){sub 2} units. The 2D layers are further interlinked through Ag...Ag and Ag...O(ClO{sub 4}{sup -}) multiple weak interactions, which form a rare Ag-ClO{sub 4} ribbon in lanthanide-transition metal coordination polymers, to give rise to a three-dimensional supramolecular architecture. Moreover, the luminescent properties of these two compounds have also been investigated at room temperature. -- Graphical abstract: Two new anion-templated 2D 4d-4f Ln-Ag heterometallic coordination polymers based on novel lanthanide-carboxylate chains and pillared Ag(IN){sub 2} units, {l_brace}[Ln{sub 3}Ag{sub 5}(IN){sub 10}(H{sub 2}O){sub 7}].4(ClO{sub 4}).4(H{sub 2}O){r_brace}{sub n} (Ln=Eu (1) and Sm (2), HIN=isonicotinic acid), have been hydrothermally synthesized and structurally characterized. 1 and 2 exhibit good luminescent properties. Display Omitted Research highlights: > Two 2D Eu (Sm)-Ag coordination polymers templated by perchlorate anion have been synthesized. > Polymers consist of novel 1D lanthanide-carboxylate chains. > In both structures, there are rare Ag...Ag and Ag...O(ClO{sub 4}{sup -}) multiple weak interactions. > Both compounds exhibit good luminescent properties.

  1. Nicotine molecularly imprinted polymer: synergy of coordination and hydrogen bonding.

    PubMed

    Huynh, Tan-Phat; B K C, Chandra; Sosnowska, Marta; Sobczak, Janusz W; Nesterov, Vladimir N; D'Souza, Francis; Kutner, Wlodzimierz

    2015-02-15

    Two new bis(2,2'-bithienyl)methane derivatives, one with the zinc phthalocyanine substituent (ZnPc-S16) and the other with the 2-hydroxyethyl substituent (EtOH-S4), were synthesized to serve as functional monomers for biomimetic recognition of nicotine (Nic) by molecular imprinting. Formation of a pre-polymerization complex of the Nic template with ZnPc-S16 and EtOH-S4 was confirmed by both the high negative Gibbs free energy gain, ΔG = -115.95 kJ/mol, calculated using the density functional theory at the B3LYP/3-21G* level, and the high stability constant, Ks = 4.67 × 10(5) M(-1), determined by UV-vis titration in chloroform. A solution of this complex was used to deposit a Nic-templated molecularly imprinted polymer (MIP-Nic) film on an Au electrode of a quartz crystal resonator of EQCM by potentiodynamic electropolymerization. The imprinting factor was as high as ~9.9. Complexation of the Nic molecules by the MIP cavities was monitored with X-ray photoelectron spectroscopy (XPS), as manifested by a negative shift of the binding energy of the Zn 2p3/2 electron of ZnPc-S16 after Nic templating. For sensing applications, simultaneous chronoamperometry (CA) and piezoelectric microgravimetry (PM) measurements were performed under flow-injection analysis conditions. The limit of detection of the CA and PM chemosensing was as low as 40 and 12 µM, respectively. Among them, the CA chemosensing was more selective to the cotinine and myosmine interferences due to the 1.10 V vs. Ag/AgCl discriminating potential of nicotine electro-oxidation applied. Differences in selectivity to the analyte and interferences were interpreted by modeling complexation of Nic and, separately, each of the interferences with a "frozen" MIP-Nic molecular cavity.

  2. Metal-containing ligands for mixed-metal polymers: novel Cu(II)-Ag(I) mixed-metal coordination polymers generated from [Cu(2-methylpyrazine-5-carboxylate)2(H2O)].3H2O and silver(I) salts.

    PubMed

    Dong, Y B; Smith, M D; zur Loye, H C

    2000-05-01

    One Cu(II)-containing ligand and two Cu(II)-Ag(I) mixed-metal coordination polymers have been synthesized. [Cu(2-methylpyrazine-5-carboxylate)2(H2O)].3H2O (1) was obtained as a molecular complex with two uncoordinated nitrogen donors by the reaction of 2-methylpyrazine-5-carboxylate sodium with CuCl(2).2H2O in water. Compound 1 crystallized in the triclinic space group P1, with a = 10.498(2) A, b = 11.000(2) A, c = 8.1424(16) A, alpha = 98.33(3) degrees, beta = 101.83(3) degrees, gamma = 66.68(3) degrees, and Z = 2. Reactions of 1 with silver(I) salts have been studied. Two Cu(II)-Ag(I) mixed-metal coordination polymers, namely, Ag[Cu(2-methylpyrazine-5-carboxylate)2.(H2O)2](BF4) (2) and Ag[Cu(2-methylpyrazine-5-carboxylate)2.(H2O)2](NO3) (3), have been generated by treating 1 with AgBF4 and AgNO3, respectively. Compound 2 crystallized in the monoclinic space group C2/c, with a = 25.827(5) A, b = 9.6430(19) A, c = 7.4525(15) A, beta = 94.74(3) degrees, and Z = 4. Compound 3 also crystallized in the monoclinic space group C2/c, with a = 25.855(5) A, b = 9.782(2) A, c = 7.1201(14) A, beta = 96.90(3) degrees, and Z = 4. The main structural feature in both 2 and 3 is a zigzag Cu(II)-Ag(I) mixed-metal chain, in which the alternating Cu(II) and Ag(I) centers are linked by 2-methylpyrazine-5-carboxylate spacers. The effect of the nitrate counterion was illustrated by compound 3, in which a novel [Ag+...NO3-] coordination chain has been found which acts as the connector to cross-link the one-dimensional zigzag chains into a three-dimensional network. In addition, an identical interchain O-H...O hydrogen bonding system has been found in both 2 and 3 and has been shown to play a significant role in directing the alignment of the one-dimensional mixed-metal polymer chains in the crystalline state. The magnetic susceptibilities of 2 and 3 were measured and found to follow the Curie law (mu eff = 1.85 for 2 and 1.83 for 3). PMID:11428114

  3. Five 8-hydroxyquinolinate-based coordination polymers with tunable structures and photoluminescent properties for sensing nitroaromatics.

    PubMed

    Zhang, Liyan; Sun, Liying; Li, Xinyuan; Tian, Yulan; Yuan, Guozan

    2015-01-01

    Using two 8-hydroxyquinolinate ligands (L1-MOM and L2-MOM) containing 3-pyridyl or 4-pyridyl groups, five novel coordination polymers, namely, [Zn3(L1)6] (1), [Zn(L1)2]·2MeOH (2), [Zn(L2)2] (3), [Cd(L2)2] (4), and [Cd4(L1)6]·13H2O (5), were synthesized and characterized by a variety of techniques. Single-crystal X-ray structures have revealed that these coordination polymers exhibit a structural diversification due to the different choices of metal salts and the effect of pyridyl nitrogen position. Compounds 1-5 exhibited different fluorescence emissions and lifetimes upon excitation in the solid state. The sensing behavior of these polymers was also investigated upon exposure to vapors of various nitroaromatic molecules (analytes). The results show that all five polymers are capable of sensing these nitroaromatic molecules in the vapor phase through fluorescence quenching. Interestingly, 3 exhibits superior sensitivity to the analytes in comparison with other polymers. 2-Nitrotoluene quenches the emission of 3 by as much as 96%.

  4. Spectroscopy of one-dimensionally inhomogeneous media with quadratic nonlinearity

    SciTech Connect

    Golubkov, A A; Makarov, Vladimir A

    2011-11-30

    We present a brief review of the results of fifty years of development efforts in spectroscopy of one-dimensionally inhomogeneous media with quadratic nonlinearity. The recent original results obtained by the authors show the fundamental possibility of determining, from experimental data, the coordinate dependences of complex quadratic susceptibility tensor components of a onedimensionally inhomogeneous (along the z axis) medium with an arbitrary frequency dispersion, if the linear dielectric properties of the medium also vary along the z axis and are described by a diagonal tensor of the linear dielectric constant. It is assumed that the medium in question has the form of a plane-parallel plate, whose surfaces are perpendicular to the direction of the inhomogeneity. Using the example of several components of the tensors X{sup (2)}(z, {omega}{sub 1} {+-} {omega}{sub 2}; {omega}{sub 1}, {+-} {omega}{sub 2}), we describe two methods for finding their spatial profiles, which differ in the interaction geometry of plane monochromatic fundamental waves with frequencies {omega}{sub 1} and {omega}{sub 2}. The both methods are based on assessing the intensity of the waves propagating from the plate at the sum or difference frequency and require measurements over a range of angles of incidence of the fundamental waves. Such measurements include two series of additional estimates of the intensities of the waves generated under special conditions by using the test and additional reference plates, which eliminates the need for complicated phase measurements of the complex amplitudes of the waves at the sum (difference) frequency.

  5. One dimensional time-to-explode (ODTX) in HMX spheres

    SciTech Connect

    Breshears, D.

    1997-06-02

    In a series of papers researchers at Lawrence Livermore National Laboratory (LLNL) have reported measurements of the time to explosion in spheres of various high explosives following a rapid, uniform increase in the surface temperature of the sphere. Due to the spherical symmetry, the time-dependent properties of the explosive (temperature, chemical composition, etc.) are functions of the radial spatial coordinate only; thus the name one-dimensional time-to-explosion (ODTX). The LLNL researchers also report an evolving series of computational modeling results for the ODTX experiments, culminating in those obtained using a sophisticated heat transfer code incorporating accurate descriptions of chemical reaction. Although the chemical reaction mechanism used to describe HMX decomposition is quite simple, the computational results agree very well with the experimental data. In addition to reproducing the magnitude and temperature dependence of the measured times to explosion, the computational results also agree with the results of post reaction visual inspection. The ODTX experiments offer a near-ideal example of a transport process (heat transfer in this case) tightly coupled with chemical reaction. The LLNL computational model clearly captures the important features of the ODTX experiments. An obvious question of interest is to what extent the model and/or its individual components (specifically the chemical reaction mechanism) are applicable to other experimental scenarios. Valid exploration of this question requires accurate understanding of (1) the experimental scenario addressed by the LLNL model and (2) details of the application of the model. The author reports here recent work addressing points (1) and (2).

  6. Distributed feedback lasing from a composite poly(phenylene vinylene)-nanoparticle one-dimensional photonic crystal.

    PubMed

    Puzzo, Daniel P; Scotognella, Francesco; Zavelani-Rossi, Margherita; Sebastian, Maria; Lough, Alan J; Manners, Ian; Lanzani, Guglielmo; Tubino, Riccardo; Ozin, Geoffrey A

    2009-12-01

    Nanoparticle one-dimensional photonic crystals exhibit intense, broadband reflectivity coupled with a unique mesoporosity. The latter property allows for infiltration of the one-dimensional photonic crystal with functional materials, such as emitting polymers, which in turn can lead to the fabrication of composites whereby the emitter's emission can be modulated by the photon density of states of the photonic crystal. We exploit this interaction in order to produce efficient distributed feedback lasing from a composite poly(phenylene vinylene)-infiltrated nanoparticle one-dimensional photonic crystal.

  7. Novel 3D bismuth-based coordination polymers: Synthesis, structure, and second harmonic generation properties

    SciTech Connect

    Wibowo, Arief C.; Smith, Mark D.; Yeon, Jeongho; Halasyamani, P. Shiv; Loye, Hans-Conrad zur

    2012-11-15

    Two new 3D bismuth containing coordination polymers are reported along with their single crystal structures and SHG properties. Compound 1: Bi{sub 2}O{sub 2}(pydc) (pydc=pyridine-2, 5-dicarboxylate), crystallizes in the monoclinic, polar space group, P2{sub 1} (a=9.6479(9) A, b=4.2349(4) A, c=11.9615(11) A, {beta}=109.587(1) Degree-Sign ), which contains Bi{sub 2}O{sub 2} chains that are connected into a 3D structure via the pydc ligands. Compound 2: Bi{sub 4}Na{sub 4}(1R3S-cam){sub 8}(EtOH){sub 3.1}(H{sub 2}O){sub 3.4} (1R3S cam=1R3S-camphoric acid) crystallizes in the monoclinic, polar space group, P2{sub 1} (a=19.0855(7) A, b=13.7706(5) A, c=19.2429(7) A, {beta}=90.701(1) Degree-Sign ) and is a true 3D coordination polymer. These are two example of SHG compounds prepared using unsymmetric ligands (compound 1) or chiral ligands (compound 2), together with metals that often exhibit stereochemically-active lone pairs, such as Bi{sup 3+}, a synthetic approach that resulted in polar, non-centrosymmetric, 3D metal-organic coordination polymer. - Graphical Abstract: Structures of two new, polar, 3D Bismuth(III)-based coordination polymers: Bi{sub 2}O{sub 2}(pydc) (compound 1), and Bi{sub 4}Na{sub 4}(1R3S-cam){sub 8}(EtOH){sub 3.1}(H{sub 2}O){sub 3.4} (compound 2). Highlights: Black-Right-Pointing-Pointer New, polar, 3D Bismuth(III)-based coordination polymers. Black-Right-Pointing-Pointer First polar bismuth-based coordination polymers synthesized via a 'hybrid' strategy. Black-Right-Pointing-Pointer Combination of stereochemically-active lone pairs and unsymmetrical or chiral ligands. Black-Right-Pointing-Pointer Synthesis of class C-SHG materials based on Kurtz-Perry categories.

  8. Syntheses, structures and photoelectric properties of a series of Cd(II)/Zn(II) coordination polymers and coordination supramolecules

    SciTech Connect

    Jin Jing; Han Xiao; Meng Qin; Li Dan; Chi Yuxian; Niu Shuyun

    2013-01-15

    Five Cd(II)/Zn(II) complexes [Cd(1,2-bdc)(pz){sub 2}(H{sub 2}O)]{sub n} (1), [Cd1Cd2(btec)(H{sub 2}O){sub 6}]{sub n} (2), [Cd(3,4-pdc) (H{sub 2}O)]{sub n} (3), [Zn(2,5-pdc)(H{sub 2}O){sub 4}]{center_dot}2H{sub 2}O (4) and {l_brace} [Zn(2,5-pdc)(H{sub 2}O){sub 2}]{center_dot}H{sub 2}O{r_brace} {sub n} (5) (H{sub 2}bdc=1,2-benzenedicarboxylic acid, pz=pyrazole, H{sub 4}btec=1,2,4,5-benzenetetracarboxylic acid, H{sub 2}pdc=pyridine-dicarboxylic acid) were hydrothermally synthesized and characterized by single-crystal X-ray diffraction, surface photovoltage spectroscopy, XRD, TG analysis, IR and UV-vis spectra and elemental analysis. Structural analyses show that complexes 1-3 are 1D, 2D and 3D Cd(II) coordination polymers, respectively. Complex 4 is a mononuclear Zn(II) complex. Complex 5 is a 3D Zn(II) coordination polymer. The surface photoelectric properties of complexes were investigated by SPS. The results indicate that all complexes exhibit photoelectric responses in the range of 300-600 nm, which reveals that they all possess certain photoelectric conversion properties. By the comparative analyses, it can be found that the species and coordination micro-environment of central metal ion, the species and property of ligands affect the intensity and scope of photoelectric response. - Graphical abstract: Five Cd(II)/Zn(II) complexes have been hydrothermally synthesized and characterized. The photoelectric properties were studied with SPS. The species and coordination micro-environment of central metal ion, the species and property of ligands all affect the photoelectric responses. Highlights: Black-Right-Pointing-Pointer Five Cd/Zn complexes have been synthesized and characterized. Black-Right-Pointing-Pointer The SPS results indicate they possess obvious photoelectric conversion property. Black-Right-Pointing-Pointer The species and coordination environment of central metal ion affect SPS. Black-Right-Pointing-Pointer The species and property of ligands affect SPS

  9. One-dimensional reacting gas nonequilibrium performance program

    NASA Technical Reports Server (NTRS)

    Frey, H. M.; Kliegel, J. R.

    1968-01-01

    Computer program calculates the inviscid one-dimensional equilibrium, frozen, and nonequilibrium nozzle expansion of gaseous propellant exhaust mixtures containing the elements - carbon, hydrogen, oxygen, nitrogen, fluorine and chlorine. The program performs calculations for conical nozzles only.

  10. Extending the Analysis of One-Dimensional Motion.

    ERIC Educational Resources Information Center

    Canderle, Luis H.

    1999-01-01

    Proposes that introductory physics courses extend the analysis of one-dimensional motion to a more sophisticated level. Gives four experimental setups and graphical analysis of the distance, velocity, and acceleration in the vertical and horizontal directions. (WRM)

  11. Asymptotic formula for eigenvalues of one dimensional Dirac system

    NASA Astrophysics Data System (ADS)

    Ulusoy, Ismail; Penahlı, Etibar

    2016-06-01

    In this paper, we study the spectral problem for one dimensional Dirac system with Dirichlet boundary conditions. By using Counting lemma, we give an asymptotic formulas of eigenvalues of Dirac system.

  12. Soluble 1D coordination polymers based on dendron-functionalized bispyridine ligand for linking between immobilized molecules on substrates.

    PubMed

    Tokuhisa, Hideo; Kanesato, Masatoshi

    2005-10-11

    As a monomeric ligand for a soluble 1D coordination polymer, a benzyl-ether based dendrimer having a rigid 4,4'-bispyridine ligand at the focal point has been synthesized and the coordination chemistry with Pd(II) investigated by nuclear magnetic resonance, ultraviolet-visible and fluorescence spectroscopies, gel permeation chromatography measurement, and X-ray photoelectron spectroscopy. As a result, it was found that the synthesized dendrimer forms a stable, soluble Pd(II) coordination polymer with rough estimation of degree of polymerization of 10 in organic solvents. Furthermore, through the coordination polymer we attempted to link fourth-generation poly(amidoamine) dendrimers (PAMAM) individually immobilized on mica and confirmed the interconnection of the PAMAM through coordination polymers by atomic force microscopy.

  13. Application of a silver-olefin coordination polymer as a catalytic curing agent for self-healing epoxy polymers

    NASA Astrophysics Data System (ADS)

    Everitt, D. T.; Coope, T. S.; Trask, R. S.; Wass, D. F.; Bond, I. P.

    2015-05-01

    A silver-olefin based coordination polymer was prepared in a simple, one step process to act as an initiator to facilitate the ring-opening polymerization of epoxides. Thermal analysis found the complex to be capable of curing a range of commercially available epoxy resins used in the manufacture of conventional composite materials. Curing of the oligomeric diglycidyl ether bisphenol A resin, Epon 828, in combination with a non-toxic solvent, ethyl phenylacetate, was studied by differential scanning calorimetry. The mechanical characterization of the resultant cured polymers was conducted by single lap shear tests. Tapered double cantilever beam (TDCB) test specimens containing 2.5 pph of silver-olefin initiator, both with and without embedded microcapsules, were analyzed for their healing performance. Healing efficiency values were found to be strongly dependent on the applied healing temperature. A mean recovery of 74% fracture load was found in TDCB samples after being healed at 70 °C for 48 h.

  14. Metal Coordination Stoichiometry Controlled Formation of Linear and Hyperbranched Supramolecular Polymers.

    PubMed

    Lin, Cuiling; Xu, Luonan; Huang, Libo; Chen, Jia; Liu, Yuanyuan; Ma, Yifan; Ye, Feixiang; Qiu, Huayu; He, Tian; Yin, Shouchun

    2016-09-01

    Controlling the topologies of polymers is a hot topic in polymer chemistry because the physical and/or chemical properties of polymers are determined (at least partially) by their topologies. This study exploits the host-guest interactions between dibenzo-24-crown-8 and secondary ammonium salts and metal coordination interactions between 2,6-bis(benzimidazolyl)-pyridine units with metal ions (Zn(II) and/or Eu(III) ) as orthogonal non-covalent interactions to prepare supramolecular polymers. By changing the ratios of the metal ion additives (Zn(NO3 )2 and Eu(NO3 )3 ) linkers to join the host-guest dimeric complex, the linear supramolecular polymers (100 mol% Zn(NO3 )2 per ligand) and hyperbranched supramolecular polymers (97 mol% Zn(NO3 )2 and 3 mol% Eu(NO3 )3 per ligand) are separately and successfully constructed. This approach not only expands topological control over polymeric systems, but also paves the way for the functionalization of smart and adaptive materials. PMID:27377646

  15. Synthesis, structure, luminescence and photocatalytic properties of an uranyl-2,5-pyridinedicarboxylate coordination polymer

    NASA Astrophysics Data System (ADS)

    Si, Zhen-Xiu; Xu, Wei; Zheng, Yue-Qing

    2016-07-01

    An uranium coordination polymer, namely [(UO2(pydc)(H2O)]·H2O (1) (H2pydc=2,5-pyridinedicarboxylic acid), has been obtained by hydrothermal method and characterized by X-ray single crystal structure determination. Structural analysis reveals that complex 1 exhibits 1D chain coordination polymer, in which UO22+ ions are bridged by 2,5-pyridinedicarboxylate ligands and the chains are connected into a 3D supramolecular network by O-H···O hydrogen bond interactions and π-π stacking interactions. The photocatalytic properties of 1 for degradation of methylene blue (MB), Rhodamine B (RhB) and methyl orange (MO) under Hg-lamp irradiation have been performed, and the amount of the catalyst as well as Hg-lamp irradiation with different power on the photodegradation efficiency of MB have been investigated. Elemental analyses, infrared spectroscopy, TG-DTA analyses and luminescence properties were also discussed.

  16. Single-crystal X-ray diffraction studies on structural transformations of porous coordination polymers.

    PubMed

    Zhang, Jie-Peng; Liao, Pei-Qin; Zhou, Hao-Long; Lin, Rui-Biao; Chen, Xiao-Ming

    2014-08-21

    X-Ray single-crystal diffraction has been the most straightforward and important technique in structural determination of crystalline materials for understanding their structure-property relationships. This powerful tool can be used to directly visualize the precise and detailed structural information of porous coordination polymers or metal-organic frameworks at different states, which are unique for their flexible host frameworks compared with conventional adsorbents. With a series of selected recent examples, this review gives a brief overview of single-crystal X-ray diffraction studies and single-crystal to single-crystal transformations of porous coordination polymers under various chemical and physical stimuli such as solvent and gas sorption/desorption/exchange, chemical reaction and temperature change.

  17. Two Zn coordination polymers with meso-helical chains based on mononuclear or dinuclear cluster units

    NASA Astrophysics Data System (ADS)

    Qin, Ling; Qiao, Wen-Cheng; Zuo, Wei-Juan; Zeng, Si-Ying; Mei, Cao; Liu, Chang-Jiang

    2016-07-01

    Two zinc coordination polymers {[Zn2(TPPBDA)(oba)2]·DMF·1.5H2O}n (1), {[Zn(TPPBDA)1/2(tpdc)]·DMF}n (2) have been synthesized by zinc metal salt, nanosized tetradentate pyridine ligand with flexible or rigid V-shaped carboxylate co-ligands. These complexes were characterized by elemental analyses and X-ray single-crystal diffraction analyses. Compound 1 is a 2-fold interpenetrated 3D framework with [Zn2(CO2)4] clusters. Compound 2 can be defined as a five folded interpenetrating bbf topology with mononuclear Zn2+. These mononuclear or dinuclear cluster units are linked by mix-ligands, resulting in various degrees of interpenetration. In addition, the photoluminescent properties for TPPBDA ligand under different state and coordination polymers have been investigated in detail.

  18. A Perylene-Based Microporous Coordination Polymer Interacts Selectively with Electron-Poor Aromatics.

    PubMed

    Tran, Ly D; Ma, Jialiu; Wong-Foy, Antek G; Matzger, Adam J

    2016-04-11

    The design, synthesis, and properties of the new microporous coordination polymer UMCM-310 are described. The unique electronic character of the perylene-based linker enables selective interaction with electron-poor aromatics leading to efficient separation of nitroaromatics. UMCM-310 possesses high surface area and large pore size and thus permits the separation of large organic molecules based on adsorption rather than size exclusion.

  19. Picogram sensing of trinitrophenol in aqueous medium through a water stable nanoscale coordination polymer.

    PubMed

    Asha, K S; Vaisakhan, G S; Mandal, Sukhendu

    2016-06-01

    A water stable nanoscale coordination polymer (CP) can detect trinitrophenol (TNP) in an aqueous medium at a record-picogram level (∼1.66 pg cm(-2)) with a detection limit of 1.66 ppb. This is a simple and low-cost method for the detection of TNP in aqueous media in contact mode, taking advantage of the unique structural arrangement of the as-synthesized CP and the associated photophysical properties.

  20. Terbium-based coordination polymer nanoparticles for detection of ciprofloxacin in tablets and biological fluids.

    PubMed

    Tan, Hongliang; Zhang, Li; Ma, Chanjiao; Song, Yonghai; Xu, Fugang; Chen, Shouhui; Wang, Li

    2013-11-27

    The metal-organic coordination polymers with tunable structures and properties have been rapidly emerging as very important functional materials. In this work, we prepared terbium (Tb(3+))-based coordination polymer nanoparticles (CPNPs) by employing adenine (Ad) as bridging ligands. The CPNPs was further used as a receptor reagent for ciprofloxacin (CF) detection in aqueous solution. Addition of CF induces a typical emission of Tb(3+) due to the formation of Ad/Tb-CF complex and the sensitization of CF. The fluorescent intensity of Tb(3+) was enhanced linearly with increasing the CF concentration from 60 nM to 14 μM. The detection limit for CF in aqueous solution is 60 nM. The Ad/Tb CPNPs was successfully applied to detect CF in tablet and urine samples and showed a satisfactory result. Compared with other methods, the proposed method is advantageous because that it provides a very simple strategy for CF detection, which does not require complicated sample pretreatment processes or special reaction media. The proposed strategy could be contributed to expand the potential applications of lanthanide coordination polymers in biological and environmental fields.

  1. In situ composition and luminescence of terbium coordination polymers/PEMA hybrid thick films

    NASA Astrophysics Data System (ADS)

    Yan, Bing; Wang, Qian-Ming

    2004-12-01

    Some terbium coordination polymers with infinite chain polymeric structures were in situ composed with ethyl methacrylate (EMA). With the polymerization of EMA monomer and the formation of terbium coordination polymers of methylbenzoic acid and 2-chloro benzoic acid, the transparent hybrid thick films composed by [Tb(OMBA)3]n ([Tb(MMBA)3]n, [Tb(OCBA)3]n) and poly ethyl methacrylate (PEMA) have been achieved. The luminescence properties and energy transfer for these polymeric composite films were studied with absorption spectra, fluorescent excitation and emission spectra in detail. All the hybrid thick films composed with terbium coordination polymers show the characteristic strong green emission of terbium ions, which implies the same energy transfer mechanism as the pure complex and the hybrid composite film is a suitable substrate for the luminescence of terbium ions. In the range of composing concentration of luminescent species (0.005, 0.01, 0.025, 0.05, 0.1 and 0.2 mmol/7.5 ml EMA), emission intensities increases with the increasing of corresponding composing concentration and concentration quenching effect has not taken place.

  2. Exact solution of the one-dimensional Hubbard model with arbitrary boundary magnetic fields

    NASA Astrophysics Data System (ADS)

    Li, Yuan-Yuan; Cao, Junpeng; Yang, Wen-Li; Shi, Kangjie; Wang, Yupeng

    2014-02-01

    The one-dimensional Hubbard model with arbitrary boundary magnetic fields is solved exactly via the Bethe ansatz methods. With the coordinate Bethe ansatz in the charge sector, the second eigenvalue problem associated with the spin sector is constructed. It is shown that the second eigenvalue problem can be transformed into that of the inhomogeneous XXX spin chain with arbitrary boundary fields which can be solved via the off-diagonal Bethe ansatz method.

  3. Synthesis, structure and fluorescence properties of a novel 3D Sr(II) coordination polymer

    NASA Astrophysics Data System (ADS)

    Tan, Yu-Hui; Xu, Qing; Gu, Zhi-Feng; Gao, Ji-Xing; Wang, Bin; Liu, Yi; Yang, Chang-Shan; Tang, Yun-Zhi

    2016-09-01

    Solvothermal reaction of 2,2‧-bipyridine-5,5‧-dicarboxylic acid (H2bpdc) and SrCl2 affords a novel coordination polymer [Sr(Hbpdc)2]n1. X-ray structure determination shows that 1 exhibits a novel three-dimensional network. The unique Sr II cation sits on a two-fold axis and coordinated by four O-atom donors from four Hbptc- ligands and four N-atom donors from two Hbptc- ligands in distorted dodecahedral geometry. In 1 each Sr II cation connects to six different Hbptc- ligands and each Hbptc- ligand bridges three different Sr II cations which results in the formation of a three-dimensional polymeric structure. Corresponding to the free ligand, the fluorescent emission of complex 1 display remarkable "Einstain" shifts, which may be attributed to the coordination interaction of Sr atoms, thus reduce the rigidity of pyridyl rings.

  4. Heterobimetallic coordination polymers involving 3d metal complexes and heavier transition metals cyanometallates

    SciTech Connect

    Peresypkina, Eugenia V.; Samsonenko, Denis G.; Vostrikova, Kira E.

    2015-04-15

    The results of the first steps in the design of coordination polymers based on penta- and heptacyanometallates of heavier d transitions metals are presented. The 2D structure of the coordination polymers: [(Mn(acacen)){sub 2}Ru(NO)(CN){sub 5}]{sub n} and two complexes composed of different cyanorhenates, [Ni(cyclam)]{sub 2}[ReO(OH)(CN){sub 4}](ClO{sub 4}){sub 2}(H{sub 2}O){sub 1.25} and [Cu(cyclam)]{sub 2}[Re(CN){sub 7}](H{sub 2}O){sub 12}, was confirmed by single crystal XRD study, the rhenium oxidation state having been proved by the magnetic measurements. An amorphism of [M(cyclam)]{sub 3}[Re(CN){sub 7}]{sub 2} (M=Ni, Cu) polymers does not allow to define strictly their dimensionality and to model anisotropic magnetic behavior of the compounds. However, with high probability a honey-comb like layer structure could be expected for [M(cyclam)]{sub 3}[Re(CN){sub 7}]{sub 2} complexes, studied in this work, because such an arrangement is the most common among the bimetallic assemblies of hexa- and octacyanometallates with a ratio [M(cyclam)]/[M(CN){sub n}]=3/2. For the first time was prepared and fully characterized a precursor (n-Bu{sub 4}N){sub 2}[Ru(NO)(CN){sub 5}], soluble in organic media. - Graphical abstract: The very first results in the design of 2D coordination polymers based on penta- and heptacyanometallates of 4d and5d transitions metals are presented. - Highlights: • Design of coordination polymers based on penta- and heptacyanometallates. • New Ru and Re cyanide based heterobimetallic coordination complexes. • Hydrolysis and ox/red processes involving [Re(CN){sub 7}]{sup 3+} during crystallization. • High magnetic anisotropy of [M(cyclam)]{sub 3}[Re(CN){sub 7}]{sub 2}(H{sub 2}O){sub n}, M=Cu, Ni, complexes.

  5. A responsive supramolecular polymer formed by orthogonal metal-coordination and cryptand-based host-guest interaction.

    PubMed

    Wei, Peifa; Xia, Binyuan; Zhang, Yanyan; Yu, Yihua; Yan, Xuzhou

    2014-04-18

    Herein, a cation responsive linear supramolecular polymer was constructed in an orthogonal fashion by unifying the themes of coordination-driven self-assembly and cryptand-based host-guest interaction. PMID:24609282

  6. Micromolding of a Highly Fluorescent Reticular Coordination Polymer: Solvent-Mediated Reconfigurable Polymerization in a Soft Lithographic Mold

    SciTech Connect

    Y You; H Yang; J Chung; J Kim; Y Jung; S Park

    2011-12-31

    Coordination polymerization of pyridine-based ligands and zinc or silver ions was controlled by soft lithographic micromolding in capillaries. The polymer patterns that are produced are highly fluorescent and supramolecularly structured.

  7. One-dimensional rainbow technique using Fourier domain filtering.

    PubMed

    Wu, Yingchun; Promvongsa, Jantarat; Wu, Xuecheng; Cen, Kefa; Grehan, Gerard; Saengkaew, Sawitree

    2015-11-16

    Rainbow refractometry can measure the refractive index and the size of a droplet simultaneously. The refractive index measurement is extracted from the absolute rainbow scattering angle. Accordingly, the angular calibration is vital for accurate measurements. A new optical design of the one-dimensional rainbow technique is proposed by using a one-dimensional spatial filter in the Fourier domain. The relationship between the scattering angle and the CCD pixel of a recorded rainbow image can be accurately determined by a simple calibration. Moreover, only the light perpendicularly incident on the lens in the angle (φ) direction is selected, which exactly matches the classical inversion algorithm used in rainbow refractometry. Both standard and global one-dimensional rainbow techniques are implemented with the proposed optical design, and are successfully applied to measure the refractive index and the size of a line of n-heptane droplets.

  8. Some topological states in one-dimensional cold atomic systems

    SciTech Connect

    Mei, Feng; Zhang, Dan-Wei; Zhu, Shi-Liang

    2015-07-15

    Ultracold atoms trapped in optical lattices nowadays have been widely used to mimic various models from condensed-matter physics. Recently, many great experimental progresses have been achieved for producing artificial magnetic field and spin–orbit coupling in cold atomic systems, which turn these systems into a new platform for simulating topological states. In this paper, we give a review focusing on quantum simulation of topologically protected soliton modes and topological insulators in one-dimensional cold atomic system. Firstly, the recent achievements towards quantum simulation of one-dimensional models with topological non-trivial states are reviewed, including the celebrated Jackiw–Rebbi model and Su–Schrieffer–Heeger model. Then, we will introduce a dimensional reduction method for systematically constructing high dimensional topological states in lower dimensional models and review its applications on simulating two-dimensional topological insulators in one-dimensional optical superlattices.

  9. One-dimensional rainbow technique using Fourier domain filtering.

    PubMed

    Wu, Yingchun; Promvongsa, Jantarat; Wu, Xuecheng; Cen, Kefa; Grehan, Gerard; Saengkaew, Sawitree

    2015-11-16

    Rainbow refractometry can measure the refractive index and the size of a droplet simultaneously. The refractive index measurement is extracted from the absolute rainbow scattering angle. Accordingly, the angular calibration is vital for accurate measurements. A new optical design of the one-dimensional rainbow technique is proposed by using a one-dimensional spatial filter in the Fourier domain. The relationship between the scattering angle and the CCD pixel of a recorded rainbow image can be accurately determined by a simple calibration. Moreover, only the light perpendicularly incident on the lens in the angle (φ) direction is selected, which exactly matches the classical inversion algorithm used in rainbow refractometry. Both standard and global one-dimensional rainbow techniques are implemented with the proposed optical design, and are successfully applied to measure the refractive index and the size of a line of n-heptane droplets. PMID:26698532

  10. Enforced one-dimensional photoconductivity in core-cladding hexabenzocoronenes.

    PubMed

    Cohen, Yaron S; Xiao, Shengxiong; Steigerwald, Michael L; Nuckolls, Colin; Kagan, Cherie R

    2006-12-01

    Photoconductivity in contorted hexabenzocoronene liquid crystals is found to be exclusively one-dimensional. Spectroscopic measurements and density functional theory support the existence of two pi-systems attributed to a low-energy radialene-core and higher energy out-of-plane alkoxyphenyl rings. Persistent photocurrents, measured as a function of field, channel length, and intensity, fit a stretched exponential characteristic of intracolumnar transport, restricted through the radialene-core by the alkoxyphenyl-cladding. Bimolecular recombination is enhanced with increasing carrier concentration by the system's one-dimensionality.

  11. Explicit solutions of one-dimensional total variation problem

    NASA Astrophysics Data System (ADS)

    Makovetskii, Artyom; Voronin, Sergei; Kober, Vitaly

    2015-09-01

    This work deals with denosing of a one-dimensional signal corrupted by additive white Gaussian noise. A common way to solve the problem is to utilize the total variation (TV) method. Basically, the TV regularization minimizes a functional consisting of the sum of fidelity and regularization terms. We derive explicit solutions of the one-dimensional TV regularization problem that help us to restore noisy signals with a direct, non-iterative algorithm. Computer simulation results are provided to illustrate the performance of the proposed algorithm for restoration of noisy signals.

  12. Hybrid surface-relief/volume one dimensional holographic gratings

    NASA Astrophysics Data System (ADS)

    Lucchetta, D. E.; Spegni, P.; Di Donato, A.; Simoni, F.; Castagna, R.

    2015-04-01

    Many one dimensional optically patterned photopolymers exist as surface relief or volume phase gratings. However, as far as we know, holographically recorded acrylate-based gratings in which both configurations are present are not described in literature. In this work we report a two steps fabrication process in which a large-area high-resolution hybrid volume/surface relief grating phase gratings is created in a thin film of multiacrylate material spinned on a proper designed substrate. Optical and morphological investigations, made on the optically patterned area, confirm the presence of a one dimensional double (surface relief and Bragg volume phase) periodic structure.

  13. Lateral electronic screening in quasi-one-dimensional plasmons

    NASA Astrophysics Data System (ADS)

    Lichtenstein, T.; Tegenkamp, C.; Pfnür, H.

    2016-09-01

    The properties of one-dimensional (1D) plasmons are rather unexplored. We investigated the plasmonic collective excitations, measured as one-dimensional plasmon dispersions with electron energy loss spectroscopy, highly resolved both in energy and lateral momentum, for both phases of Au induced chains on stepped Si(553) substrates. We observe 1D dispersions that are strongly influenced by the lateral chain width and by the interchain coupling. Indications for the existence of two different plasmons originating from two surface bands of the systems are given for the low coverage phase.

  14. Controlled syntheses, structures and photoluminescence of two europium coordination polymers based on 2,4-dcp (2,4-dichlorophenoxyacetate) and 4,4'-bpy (4,4'-bipyridine) ligands

    NASA Astrophysics Data System (ADS)

    Ma, Deyun; Lu, Kuan; Guo, Haifu; Pan, Yong; Liu, Jianqiang

    2012-08-01

    Two new one-dimensional europium coordination polymers, namely {[Eu(2,4-dcp)3(H2O)2]·(4,4'-bpy)(H2O)}n (1) and {[Eu(2,4-dcp)3(H2O)2]·(4,4'-bpy)1.5(H2O)2}n (2) were hydrothermally synthesized by controlling the pH of the reaction solution, and were characterized by elemental analysis, IR, TGA, powder X-ray diffraction and single crystal X-ray diffraction. Single-crystal X-ray diffraction studies indicate that the two europium coordination polymers adopt analogous linear chain structures with a {Eu2(2,4-dcp)5(H2O)4}, and a {Eu2(2,4-dcp)6(H2O)4} dimeric repeat units for 1 and 2, respectively. The europium centers of 1 and 2 are also bound to two water molecules resulting in nine-coordinate, distorted tricapped trigonal-prism and monocapped square antiprism geometries, respectively. The pyridine nitrogen atoms of the 4,4'-bpy ligands do not coordinate to the metal centers in complexes 1-2; instead, they direct the formation of 2D sheet networks via hydrogen bonding interactions. Both 1 and 2 emit the intense red characteristic luminescence of Eu3+ ion at room temperature, with long lifetimes of up to 0.8879 and 0.7571 ms, respectively.

  15. Apparent Power-Law Behavior of Conductance in Disordered Quasi-One-Dimensional Systems

    NASA Astrophysics Data System (ADS)

    Rodin, Aleksandr; Fogler, Michael

    2011-03-01

    Observation of power-law dependence of conductance on temperature and voltage has been reported for a wide variety of low-dimensional systems(nano-wires, nano-tubes, and conducting polymers). This behavior has been attributed to the Luttinger liquid effects expected in a pure one-dimensional wire. However, the systems studied were neither one-dimensional nor defect-free. Using numerical simulations we show that the power-law behavior can arise from variable-range hopping in an ensemble of non-interacting disordered wires connected in parallel. This power-law behavior holds in restricted ranges of voltage and temperature, typical of experimental situations. Physically, it comes from rare, but highly conducting hopping paths that appear by chance in some members of the ensemble. The power-law exponents and their dependence on system parameters are consistent with the great majority of available empirical data. Supported by Grant NSF DMR-0706654.

  16. Hierarchical effect behind the supramolecular chirality of silver(I)-cysteine coordination polymers.

    PubMed

    Randazzo, Rosalba; Di Mauro, Alessandro; D'Urso, Alessandro; Messina, Gabriele C; Compagnini, Giuseppe; Villari, Valentina; Micali, Norberto; Purrello, Roberto; Fragalà, Maria Elena

    2015-04-01

    Cysteine is a sulfur-containing amino acid that easily coordinates to soft metal ions and grafts to noble metal surfaces. Recently, chiroptical activity of Ag(+)/cysteine coordination polymers has been widely studied, while, on the other hand, the appearance of a plasmon-enhanced circular dichroic signal (PECD) at the plasmonic spectral region (λ > 400 nm) has been observed for AgNPs capped with chiral sulfur-containing amino acids. These two events are both potentially exploited for sensing applications. However, the presence of Ag(+) ions in AgNP colloidal solution deals with the competition of cysteine grafting at the metal NP surface and/or metal ion coordination. Herein we demonstrate that the chiroptical activity observed by adding cysteine to AgNP colloids prepared by pulsed laser ablation in liquids (PLAL) is mainly related to the formation of CD-active Ag(+)/cysteine supramolecular polymers. The strict correlation between supramolecular chirality and hierarchical effects, driven by different chemical environments experienced by cysteine when different titration modalities are used, is pivotal to validate cysteine as a fast and reliable probe to characterize the surface oxidation of AgNPs prepared by pulsed laser ablation in liquids by varying the laser wavelengths.

  17. Coordination polymers assembled from semirigid fluorene-based ligand: A couple of enantiomers

    NASA Astrophysics Data System (ADS)

    Li, Liang; Wang, Zihao; Chen, Qiang; Zhou, Xinhui; yang, Tao; Zhao, Qiang; Huang, Wei

    2015-11-01

    A couple of Mg(II)-based coordination polymer enantiomers [MgL(DMF)(H2O)3]n (R-MgL and S-MgL), and a Zn(II)-based coordination polymer [ZnL(DMF)]n (ZnL) have been synthesized by the solvothermal reactions between the achiral ligand 4,4‧-(9,9-dimethyl-9H-fluorene-2,7-diyl)dibenzoic acid (H2L) and the corresponding metal salts. The MgL was obtained as the racemic conglomerate from the one pot reaction. The single crystal X-ray structural analyses reveal that MgL crystallize in the chiral space group P21 and possesses the right- or left-handed homochiral 1D Mg-O-C helical chain. The ZnL crystallize in the non-centrosymmetrical space group Aba2 and possesses the 2D network comprised of 1D Zn-O-C meso-helical chains and ligands. The MgL and ZnL complexes exhibit strong coordination-perturbed ligand-centered blue emissions when excited at 320 nm. Their second-order nonlinear optical effects and thermal properties have also been studied.

  18. Picogram sensing of trinitrophenol in aqueous medium through a water stable nanoscale coordination polymer

    NASA Astrophysics Data System (ADS)

    Asha, K. S.; Vaisakhan, G. S.; Mandal, Sukhendu

    2016-06-01

    A water stable nanoscale coordination polymer (CP) can detect trinitrophenol (TNP) in an aqueous medium at a record-picogram level (~1.66 pg cm-2) with a detection limit of 1.66 ppb. This is a simple and low-cost method for the detection of TNP in aqueous media in contact mode, taking advantage of the unique structural arrangement of the as-synthesized CP and the associated photophysical properties.A water stable nanoscale coordination polymer (CP) can detect trinitrophenol (TNP) in an aqueous medium at a record-picogram level (~1.66 pg cm-2) with a detection limit of 1.66 ppb. This is a simple and low-cost method for the detection of TNP in aqueous media in contact mode, taking advantage of the unique structural arrangement of the as-synthesized CP and the associated photophysical properties. Electronic supplementary information (ESI) available: Experimental section, a scheme for nano CP synthesis, a table for crystallographic data and selected bond lengths, figures of coordination modes of metal and ligand, IR, TGA, DLS and PXRD characterization of the micro/nano sample, SEM and TEM images, N2 adsorption-desorption plot, the optical properties of 1 in DMF and photophysical studies and NMR studies of the compound. See DOI: 10.1039/c5nr08159a

  19. Hierarchical effect behind the supramolecular chirality of silver(I)-cysteine coordination polymers.

    PubMed

    Randazzo, Rosalba; Di Mauro, Alessandro; D'Urso, Alessandro; Messina, Gabriele C; Compagnini, Giuseppe; Villari, Valentina; Micali, Norberto; Purrello, Roberto; Fragalà, Maria Elena

    2015-04-01

    Cysteine is a sulfur-containing amino acid that easily coordinates to soft metal ions and grafts to noble metal surfaces. Recently, chiroptical activity of Ag(+)/cysteine coordination polymers has been widely studied, while, on the other hand, the appearance of a plasmon-enhanced circular dichroic signal (PECD) at the plasmonic spectral region (λ > 400 nm) has been observed for AgNPs capped with chiral sulfur-containing amino acids. These two events are both potentially exploited for sensing applications. However, the presence of Ag(+) ions in AgNP colloidal solution deals with the competition of cysteine grafting at the metal NP surface and/or metal ion coordination. Herein we demonstrate that the chiroptical activity observed by adding cysteine to AgNP colloids prepared by pulsed laser ablation in liquids (PLAL) is mainly related to the formation of CD-active Ag(+)/cysteine supramolecular polymers. The strict correlation between supramolecular chirality and hierarchical effects, driven by different chemical environments experienced by cysteine when different titration modalities are used, is pivotal to validate cysteine as a fast and reliable probe to characterize the surface oxidation of AgNPs prepared by pulsed laser ablation in liquids by varying the laser wavelengths. PMID:25781213

  20. Four unexpected lanthanide coordination polymers involving in situ reaction of solvent N, N-Dimethylformamide

    SciTech Connect

    Jin, Jun-Cheng; Tong, Wen-Quan; Fu, Ai-Yun; Xie, Cheng-Gen; Chang, Wen-Gui; Wu, Ju; Xu, Guang-Nian; Zhang, Ya-Nan; Li, Jun; Li, Yong; Yang, Peng-Qi

    2015-05-15

    Four unexpected 2D lanthanide coordination polymers have been synthesized through in situ reactions of DMF solvent under solvothermal conditions. The isostructural complexes 1–3 contain four types of 2{sub 1} helical chains. While the Nd(III) ions are bridged through μ{sub 2}-HIDC{sup 2−} and oxalate to form a 2D sheet along the bc plane without helical character in 4. Therefore, complex 1 exhibits bright red solid-state phosphorescence upon exposure to UV radiation at room temperature. - Graphical abstract: Four unexpected 2D lanthanide coordination polymers have been synthesized through in situ reactions of solvent DMF to formate acid or oxalic acid under solvothermal conditions. The isostructural complexes 1–3 contain four types of different 2{sub 1} helical chains in the 2D layer and 1 exhibits bright red solid-state phosphorescence upon UV radiation. - Highlights: • Four unexpected 2D lanthanide coordination compounds have been synthesized through in situ reactions under solvothermal conditions. • The complexes 1–3 contain four types of 2{sub 1} helical chains in the layer. • Complex 1 exhibits bright red solid-state phosphorescence upon exposure to UV radiation at room temperature.

  1. Teaching Module for One-Dimensional, Transient Conduction.

    ERIC Educational Resources Information Center

    Ribando, Robert J.; O'Leary, Gerald W.

    1998-01-01

    Describes a PC-based teaching module designed to instruct engineering students in transient one-dimensional conduction heat transfer analysis. The discussion considers problem formulation, nondimensionalization, discretization, numerical stability and the time-step restriction, program operation, and program verification. (MES)

  2. Exact Results for One Dimensional Fluids Through Functional Integration

    NASA Astrophysics Data System (ADS)

    Fantoni, Riccardo

    2016-06-01

    We review some of the exactly solvable one dimensional continuum fluid models of equilibrium classical statistical mechanics under the unified setting of functional integration in one dimension. We make some further developments and remarks concerning fluids with penetrable particles. We then apply our developments to the study of the Gaussian core model for which we are unable to find a well defined thermodynamics.

  3. Approximate Approaches to the One-Dimensional Finite Potential Well

    ERIC Educational Resources Information Center

    Singh, Shilpi; Pathak, Praveen; Singh, Vijay A.

    2011-01-01

    The one-dimensional finite well is a textbook problem. We propose approximate approaches to obtain the energy levels of the well. The finite well is also encountered in semiconductor heterostructures where the carrier mass inside the well (m[subscript i]) is taken to be distinct from mass outside (m[subscript o]). A relevant parameter is the mass…

  4. Underwater striling engine design with modified one-dimensional model

    NASA Astrophysics Data System (ADS)

    Li, Daijin; Qin, Kan; Luo, Kai

    2015-05-01

    Stirling engines are regarded as an efficient and promising power system for underwater devices. Currently, many researches on one-dimensional model is used to evaluate thermodynamic performance of Stirling engine, but in which there are still some aspects which cannot be modeled with proper mathematical models such as mechanical loss or auxiliary power. In this paper, a four-cylinder double-acting Stirling engine for Unmanned Underwater Vehicles (UUVs) is discussed. And a one-dimensional model incorporated with empirical equations of mechanical loss and auxiliary power obtained from experiments is derived while referring to the Stirling engine computer model of National Aeronautics and Space Administration (NASA). The P-40 Stirling engine with sufficient testing results from NASA is utilized to validate the accuracy of this one-dimensional model. It shows that the maximum error of output power of theoretical analysis results is less than 18% over testing results, and the maximum error of input power is no more than 9%. Finally, a Stirling engine for UUVs is designed with Schmidt analysis method and the modified one-dimensional model, and the results indicate this designed engine is capable of showing desired output power.

  5. Underwater striling engine design with modified one-dimensional model

    NASA Astrophysics Data System (ADS)

    Li, Daijin; Qin, Kan; Luo, Kai

    2015-09-01

    Stirling engines are regarded as an efficient and promising power system for underwater devices. Currently, many researches on one-dimensional model is used to evaluate thermodynamic performance of Stirling engine, but in which there are still some aspects which cannot be modeled with proper mathematical models such as mechanical loss or auxiliary power. In this paper, a four-cylinder double-acting Stirling engine for Unmanned Underwater Vehicles (UUVs) is discussed. And a one-dimensional model incorporated with empirical equations of mechanical loss and auxiliary power obtained from experiments is derived while referring to the Stirling engine computer model of National Aeronautics and Space Administration (NASA). The P-40 Stirling engine with sufficient testing results from NASA is utilized to validate the accuracy of this one-dimensional model. It shows that the maximum error of output power of theoretical analysis results is less than 18% over testing results, and the maximum error of input power is no more than 9%. Finally, a Stirling engine for UUVs is designed with Schmidt analysis method and the modified one-dimensional model, and the results indicate this designed engine is capable of showing desired output power.

  6. Transition density of one-dimensional diffusion with discontinuous drift

    NASA Technical Reports Server (NTRS)

    Zhang, Weijian

    1990-01-01

    The transition density of a one-dimensional diffusion process with a discontinuous drift coefficient is studied. A probabilistic representation of the transition density is given, illustrating the close connections between discontinuities of the drift and Brownian local times. In addition, some explicit results are obtained based on the trivariate density of Brownian motion, its occupation, and local times.

  7. One-Dimensional SO2 Predictions for Duct Injection

    1993-10-05

    DIAN1D is a one-dimensional model that predicts SO2 absorption by slurry droplets injected into a flue gas stream with two-fluid atomizers. DIANUI is an interactive user interface for DIAN1D. It prepares the input file for DIAN1D from plant design specifications and process requirements.

  8. One-Dimensional Ising Model with "k"-Spin Interactions

    ERIC Educational Resources Information Center

    Fan, Yale

    2011-01-01

    We examine a generalization of the one-dimensional Ising model involving interactions among neighbourhoods of "k" adjacent spins. The model is solved by exploiting a connection to an interesting computational problem that we call ""k"-SAT on a ring", and is shown to be equivalent to the nearest-neighbour Ising model in the absence of an external…

  9. The Long Decay Model of One-Dimensional Projectile Motion

    ERIC Educational Resources Information Center

    Lattery, Mark Joseph

    2008-01-01

    This article introduces a research study on student model formation and development in introductory mechanics. As a point of entry, I present a detailed analysis of the Long Decay Model of one-dimensional projectile motion. This model has been articulated by Galileo ("in De Motu") and by contemporary students. Implications for instruction are…

  10. Sandia One-Dimensional Direct and Inverse Thermal Code

    1995-02-27

    SODDIT is a reliable tool for solving a wide variety of one-dimensional transient heat conduction problems. Originally developed in 1972 to predict the ablation of graphite/carbon bodies reentering the earth''s atmosphere, it has since been modified by the authors to extend its capabilities well beyond its original scope.

  11. Anomalous heat conduction in a one-dimensional ideal gas.

    PubMed

    Casati, Giulio; Prosen, Tomaz

    2003-01-01

    We provide firm convincing evidence that the energy transport in a one-dimensional gas of elastically colliding free particles of unequal masses is anomalous, i.e., the Fourier law does not hold. Our conclusions are confirmed by a theoretical and numerical analysis based on a Green-Kubo-type approach specialized to momentum-conserving lattices. PMID:12636549

  12. Understanding the Structure of Reversible Coordination Polymers Based on Europium in Electrostatic Assemblies Using Time-Resolved Luminescence.

    PubMed

    Xu, Limin; Xie, Mengqi; Huang, Jianbin; Yan, Yun

    2016-06-14

    In situ characterization of the structure of reversible coordination polymers remains a challenge because of their dynamic and concentration-responsive nature. It is especially difficult to determine these structures in their self-assemblies where their degree of polymerization responds to the local concentration. In this paper, we report on the structure of reversible lanthanide coordination polymers in electrostatic assemblies using time-resolved luminescence (TRL) measurement. The reversible coordinating system is composed of the bifunctional ligand 1,11-bis(2,6-dicarboxypyridin-4-yloxy)-3,6,9-trioxaundecane (L2EO4) and europium ion Eu(3+). Upon mixing with the positively charged diblock copolymer poly(2-vinylpyridine)-b-poly(ethylene oxide) (P2VP41-b-PEO205), electrostatic polyion micelles are formed and the negatively charged L2EO4-Eu coordination complex simultaneously transforms into coordination "polymers" in the micellar core. By virtue of the water-sensitive luminescence of Eu(3+), we are able to obtain the structural information of the L2EO4-Eu coordination polymers before and after the formation of polyion micelles. Upon analyzing the fluorescence decay curves of Eu(3+) before and after micellization, the fraction of Eu(3+) fully coordinated with L2EO4 is found to increase from 32 to 83%, which verifies the occurrence of chain extension of the L2EO4-Eu coordination polymers in the micellar core. Our work provides a qualitative picture for the structure change of reversible coordination polymers, which allows us to look into these "invisible" structures.

  13. Understanding the Structure of Reversible Coordination Polymers Based on Europium in Electrostatic Assemblies Using Time-Resolved Luminescence.

    PubMed

    Xu, Limin; Xie, Mengqi; Huang, Jianbin; Yan, Yun

    2016-06-14

    In situ characterization of the structure of reversible coordination polymers remains a challenge because of their dynamic and concentration-responsive nature. It is especially difficult to determine these structures in their self-assemblies where their degree of polymerization responds to the local concentration. In this paper, we report on the structure of reversible lanthanide coordination polymers in electrostatic assemblies using time-resolved luminescence (TRL) measurement. The reversible coordinating system is composed of the bifunctional ligand 1,11-bis(2,6-dicarboxypyridin-4-yloxy)-3,6,9-trioxaundecane (L2EO4) and europium ion Eu(3+). Upon mixing with the positively charged diblock copolymer poly(2-vinylpyridine)-b-poly(ethylene oxide) (P2VP41-b-PEO205), electrostatic polyion micelles are formed and the negatively charged L2EO4-Eu coordination complex simultaneously transforms into coordination "polymers" in the micellar core. By virtue of the water-sensitive luminescence of Eu(3+), we are able to obtain the structural information of the L2EO4-Eu coordination polymers before and after the formation of polyion micelles. Upon analyzing the fluorescence decay curves of Eu(3+) before and after micellization, the fraction of Eu(3+) fully coordinated with L2EO4 is found to increase from 32 to 83%, which verifies the occurrence of chain extension of the L2EO4-Eu coordination polymers in the micellar core. Our work provides a qualitative picture for the structure change of reversible coordination polymers, which allows us to look into these "invisible" structures. PMID:27228142

  14. Plasmonic photocatalytic reactions enhanced by hot electrons in a one-dimensional quantum well

    NASA Astrophysics Data System (ADS)

    Huang, H. J.; Liu, B.-H.; Lin, C.-T.; Su, W. S.

    2015-11-01

    The plasmonic endothermic oxidation of ammonium ions in a spinning disk reactor resulted in light energy transformation through quantum hot charge carriers (QHC), or quantum hot electrons, during a chemical reaction. It is demonstrated with a simple model that light of various intensities enhance the chemical oxidization of ammonium ions in water. It was further observed that light illumination, which induces the formation of plasmons on a platinum (Pt) thin film, provided higher processing efficiency compared with the reaction on a bare glass disk. These induced plasmons generate quantum hot electrons with increasing momentum and energy in the one-dimensional quantum well of a Pt thin film. The energy carried by the quantum hot electrons provided the energy needed to catalyze the chemical reaction. The results indicate that one-dimensional confinement in spherical coordinates (i.e., nanoparticles) is not necessary to provide an extra excited state for QHC generation; an 8 nm Pt thin film for one-dimensional confinement in Cartesian coordinates can also provide the extra excited state for the generation of QHC.

  15. Plasmonic photocatalytic reactions enhanced by hot electrons in a one-dimensional quantum well

    SciTech Connect

    Huang, H. J. E-mail: hhjhuangkimo@gmail.com; Liu, B. H.; Lin, C. T.; Su, W. S.

    2015-11-15

    The plasmonic endothermic oxidation of ammonium ions in a spinning disk reactor resulted in light energy transformation through quantum hot charge carriers (QHC), or quantum hot electrons, during a chemical reaction. It is demonstrated with a simple model that light of various intensities enhance the chemical oxidization of ammonium ions in water. It was further observed that light illumination, which induces the formation of plasmons on a platinum (Pt) thin film, provided higher processing efficiency compared with the reaction on a bare glass disk. These induced plasmons generate quantum hot electrons with increasing momentum and energy in the one-dimensional quantum well of a Pt thin film. The energy carried by the quantum hot electrons provided the energy needed to catalyze the chemical reaction. The results indicate that one-dimensional confinement in spherical coordinates (i.e., nanoparticles) is not necessary to provide an extra excited state for QHC generation; an 8 nm Pt thin film for one-dimensional confinement in Cartesian coordinates can also provide the extra excited state for the generation of QHC.

  16. Coordination polymers built from 1,4-bis(imidazol-1-ylmethyl)benzene: from crystalline to amorphous.

    PubMed

    Adarsh, N N; Novio, Fernando; Ruiz-Molina, Daniel

    2016-07-28

    The supramolecular chemistry of the bis-imidazole ligand 1,4-bis(imidazol-1-ylmethyl)benzene, popularly known as bix, has been explored by various researchers in order to synthesize functional coordination polymers (CPs). The flexibility of the bix ligand, its unpredictable conformation and its coordination behaviour with transition metal ions have resulted in a huge number of structurally diverse and functionally intriguing CPs. In this perspective review we discuss the progress in CPs of bix between 1997 and today. More precisely, this review emphasizes the developments in functional supramolecular coordination polymers built from the bix ligand, from crystalline materials to amorphous nanomaterials. PMID:27335273

  17. Structural Diversity of Cadmium(II) Coordination Polymers Induced by Tuning the Coordination Sites of Isomeric Ligands.

    PubMed

    Liu, Bo; Zhou, Hui-Fang; Hou, Lei; Wang, Jian-Ping; Wang, Yao-Yu; Zhu, Zhonghua

    2016-09-01

    When the coordination sites of ligands were shifted, the solvothermal reactions of four positional isomeric asymmetrical pyridyldicarboxylatic acids with Cd(NO3)2 generated four new coordination polymers, [Cd(L1)(DMF)3]·DMF·H2O (1), [H2N(CH3)2]2[Cd(L2)2]·3DMF·H2O (2), [Cd(L3)(H2O)2] (3), and [Cd(L4)]·1.5DMF (4), where DMF = N,N-dimethylformamide, H2L1 = 2-(3'-carboxylphenyl)isonicotinic acid, H2L2 = 2-(4'-carboxylphenyl)isonicotinic acid, H2L3 = 5-(3'-carboxylphenyl)nicotic acid, and H2L4 = 2-(3'-pyridyl)terephthalic acid. 1 shows a rare 2D fabric structure. 2 discloses a grid-layer structure with heterochiral helical chains and in which three sets of layers stack in different directions, affording an unprecedented 2D + 2D + 2D → 3D polycatenating framework with 3D intersecting porous systems. 3 also displays a 2D layer possessing strong intralayer π···π interactions and interlayer hydrogen bonds. 4 contains a rare Cd2(COO)4 paddle-wheel unit and forms a 3D framework with 1D open channels. The carboxyl and pyridyl groups of the positional isomeric H2L1-H2L4 ligands show distinct bridging fashions, which leads to the production of versatile architectures of 1-4, and their effects on the crystal structures are discussed. 1-4 reveal solid-state photoluminescence stemming from intraligand charge transfer. 2 and 4 show high selectivity for CO2 over CH4 but with different CO2 adsorption enthalpies. Grand canonical Monte Carlo simulations identified the multiple adsorption sites in 2 for CO2. PMID:27513092

  18. Synthesis and crystal structure of a two-dimensional sodium coordination polymer of 4,4'-(diazenediyl)bis(1H-1,2,4-triazol-5-one).

    PubMed

    Guo, Jiajia; Cao, Wenli; Li, Shuailei; Miao, Kanghua; Song, Jirong; Huang, Jie

    2016-02-01

    The crystal engineering of coordination polymers has aroused interest due to their structural versatility, unique properties and applications in different areas of science. The selection of appropriate ligands as building blocks is critical in order to afford a range of topologies. Alkali metal cations are known for their mainly ionic chemistry in aqueous media. Their coordination number varies depending on the size of the binding partners, and on the electrostatic interaction between the ligands and the metal ions. The two-dimensional coordination polymer poly[tetra-μ-aqua-[μ4-4,4'-(diazenediyl)bis(5-oxo-1H-1,2,4-triazolido)]disodium(I)], [Na2(C4H2N8O2)(H2O)4]n, (I), was synthesized from 4-amino-1H-1,2,4-triazol-5(4H)-one (ATO) and its single-crystal structure determined. The mid-point of the imino N=N bond of the 4,4'-(diazenediyl)bis(5-oxo-1H-1,2,4-triazolide) (ZTO(2-)) ligand is located on an inversion centre. The asymmetric unit consists of one Na(+) cation, half a bridging ZTO(2-) ligand and two bridging water ligands. Each Na(+) cation is coordinated in a trigonal antiprismatic fashion by six O atoms, i.e. two from two ZTO(2-) ligands and the remaining four from bridging water ligands. The Na(+) cation is located near a glide plane, thus the two bridging O atoms from the two coordinating ZTO(2-) ligands are on adjacent apices of the trigonal antiprism, rather than being in an anti configuration. All water and ZTO(2-) ligands act as bridging ligands between metal centres. Each Na(+) metal centre is bridged to a neigbouring Na(+) cation by two water molecules to give a one-dimensional [Na(H2O)2]n chain. The organic ZTO(2-) ligand, an O atom of which also bridges the same pair of Na(+) cations, then crosslinks these [Na(H2O)2]n chains to form two-dimensional sheets. The two-dimensional sheets are further connected by intermolecular hydrogen bonds, giving rise to a stabile hydrogen-bonded network. PMID:26846504

  19. Luminescent lanthanide coordination polymers synthesized via in-situ hydrolysis of dimethyl-3,4-furandicarboxylate

    SciTech Connect

    Greig, Natalie E.; Einkauf, Jeffrey D.; Clark, Jessica M.; Corcoran, Eric J.; Karram, Joseph P.; Kent, Charles A.; Eugene, Vadine E.; Chan, Benny C.; Lill, Daniel T. de

    2015-05-15

    Dimethyl-3,4-furandicarboxylate undergoes hydrolysis under hydrothermal conditions with lanthanide (Ln) ions to form two-dimensional coordination polymers, [Ln(C{sub 6}H{sub 2}O{sub 5})(C{sub 6}H{sub 3}O{sub 5})(H{sub 2}O)]{sub n} (Ln=Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu). The resulting materials exhibit luminescent properties with quantum yields and lifetimes for the Eu(III) and Tb(III) compounds of 1.1±0.3% and 0.387±0.0001 ms, and 3.3±0.8% and 0.769±0.006 ms, respectively. Energy values for the singlet and triplet states were determined for dimethyl-3,4-furandicarboxylate and 3,4-furandicarboxylic acid. Excited state dynamics and structural features are examined to explicate the reported quantum yields. A series of other FDC structures is briefly presented. - Graphical abstract: A new two-dimensional coordination polymer derived from the in-situ hydrolysis of a furan dimethyl ester with lanthanide(III) ions was obtained in order to study its photophysical behavior when constructed from trivalent Eu and Tb. Quantum yields, lifetime measurements, and singlet/triplet state energies values were obtained. The nature of the material's excited state dynamics is examined and correlated to its structure in order to explain the overall luminescent efficiency of the system. - Highlights: • A new lanthanide–furandicarboxylate coordination polymer is presented. • Eu and Tb compounds display luminescent properties, albeit with low quantum yields. • Photophysical behavior explained through the compound's triplet state and structure. • Nonradiative deactivation of luminescence through high-energy oscillators was noted. • Molecular modeling of the organic moiety was conducted.

  20. Syntheses, crystal structures, and properties of new metal-5-bromonicotinate coordination polymers

    SciTech Connect

    Li, Wenjie; Li, Guoting; Lv, Lulu; Zhao, Hong; Wu, Benlai

    2015-05-15

    Four metal–5-bromonicotinate (Brnic) coordination polymers [Fe(Brnic){sub 2}(H{sub 2}O){sub 2}]{sub n} (1), [Ni(Brnic){sub 2}]{sub n} (2), [Ni(Brnic)(bpy)(H{sub 2}O){sub 2}]{sub n}·n(Brnic)·4.5nH{sub 2}O (3), and [Co{sub 2}(Brnic){sub 3}(bpy){sub 2}(OH)]{sub n}·nH{sub 2}O (4) have been synthesized and structurally characterized (bpy=4,4′-bipyridine). Complex 1 has corrugated (4,4) sheets formed by μ-Brnic ligands and planar nodes Fe(II). As for 2–4, they all built up from Brnic-bridged dinuclear subunits, but have very different structure features. Complex 2 is a twin-like polymer with (4,4) layers formed by twin paddle-wheel [Ni{sub 2}(Brnic){sub 4}] subunits. Through the bridge coordination of bpy ligands with dinuclear rings [Ni{sub 2}(Brnic){sub 2}] and trigons [Co{sub 2}(Brnic){sub 3}(OH)], 6{sup 3}-topological cationic layers with nanosized grids of 3 and chiral ladder-type double chains of 4 formed, respectively. Notably, halogen-related interactions play an important role in the formation of 3D metallosupermolecules 1–4. The thermostabilities of all compounds have been discussed in detail. Moreover, the magnetic investigations of 2 and 4 indicate that there exist antiferromagnetic interactions in the paddle-wheel [Ni{sub 2}(Brnic){sub 4}] and trigon [Co{sub 2}(Brnic){sub 3}(OH)] cores, respectively. - Highlights: • Four novel metal–5-bromonicotinate coordination polymers have been synthesized. • Notably, halogen-related interactions play an important role in the formation of 3D metallosupermolecules. • Antiferromagnetic interactions in nickel(II) paddle-wheel and cobalt(II) trigon cores were observed.

  1. Synthesis and characterization of 1D iron(II) spin crossover coordination polymers with hysteresis.

    PubMed

    Bauer, Wolfgang; Lochenie, Charles; Weber, Birgit

    2014-02-01

    Purposeful ligand design was used for the synthesis of eight new 1D iron(II) spin crossover coordination polymers aiming for cooperative spin transitions with hysteresis. The results from magnetic measurements and X-ray structure analysis show that the combination of rigid linkers and a hydrogen bond network between the 1D chains is a promising tool to reach this goal. Five of the eight new samples show a cooperative spin transition with hysteresis with up to 43 K wide hysteresis loops.

  2. Magnetic nanosized {M(II)24}-wheel-based (M = Co, Ni) coordination polymers.

    PubMed

    Li, Jia; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun

    2012-06-01

    Two 3D coordination polymers, [Co(24)(OH)(12)(SO(4))(12)(ip)(6)(DMSO)(18)(H(2)O)(6)]·(DMSO)(6)(EtOH)(6)(H(2)O)(36) (1·guests, ip = isophthalate) and [Ni(24)(OH)(12)(SO(4))(12)(ip)(6)(DMSO)(12)(H(2)O)(12)]·(DMSO)(6)(EtOH)(6)(H(2)O)(20) (2·guests), constructed with nanosized tetraicosanuclear Co(II) and Ni(II) wheels are solvothermally synthesized. Both complexes show intra- and interwheel dominant antiferromagnetic interactions.

  3. Selective Adsorption of CO2 from Light Gas Mixtures Using a Structurally Dynamic Porous Coordination Polymer**

    SciTech Connect

    Kristi L. Kauffman, Jeffrey T. Culp, Andrew J. Allen, Laura Espinal, Winnie Wong-Ng, Thomas D. Brown, Angela Goodman, Mark P. Bernardo, Russel J. Pancoast, Danielle Chirdon, Christopher Matranga*

    2010-01-01

    The selective adsorption of CO{sub 2} from mixtures with N{sub 2}, CH{sub 4}, and N{sub 2}O in a dynamic porous coordination polymer (see monomer structure) was evaluated by ATR-FTIR spectroscopy, GC, and SANS. All three techniques indicate highly selective adsorption of CO{sub 2} from CO{sub 2}/CH{sub 4} and CO{sub 2}/N{sub 2} mixtures at 30 C, with no selectivity observed for the CO{sub 2}/N{sub 2}O system.

  4. A novel 2D porous indium coordination polymer with tunable luminescent property

    NASA Astrophysics Data System (ADS)

    Li, Xuejiao; Wang, Fangfang; Yang, He; Xu, Bo; Li, Cuncheng

    2016-08-01

    A new Indium coordination polymer [In(pda)1.5(phen)]n1 based on 1,4-phenylenediacetic acid (H2pda) and phen = 1,10-phenanthroline was obtained under hydrothermal condition and further characterized by single crystal X-ray analysis and other physicochemical studies such as infrared spectrum (IR), elemental analysis, thermogravimetric analysis (TGA) and powder X-ray diffraction (PXRD). Structure analysis reveals that complex 1 exhibits 2D porous (6,3) connected layer structure. Luminescent property of 1 was investigated both in the solid state and in different solvents and the results indicated that complex 1 demonstrates distinct solvent dependent luminescent property.

  5. Lattice architecture effect on the cooperativity of spin transition coordination polymers

    SciTech Connect

    Chiruta, Daniel; Jureschi, Catalin-Maricel; Rotaru, Aurelian E-mail: rotaru@eed.usv.ro; Linares, Jorge E-mail: rotaru@eed.usv.ro; Garcia, Yann

    2014-02-07

    We have investigated in the framework of the Ising-like model, by means of Monte Carlo Metropolis method with open boundary condition, the architecture effect on the cooperativity of spin transition coordination polymers. We have analyzed the influence of several physical parameters (size, pressure, and edge effects) on different lattice architectures which were in good agreement with reported experimental data. We show that the cooperativity of a spin crossover system, characterized by the same number of molecules and the same short- and long-range interaction parameters, is progressively enhanced when going from a 1D chain to a 1D ladder type lattice and to a 2D square lattice.

  6. Efficient fixation of CO2 by a zinc-coordinated conjugated microporous polymer.

    PubMed

    Xie, Yong; Wang, Ting-Ting; Yang, Rui-Xia; Huang, Nian-Yu; Zou, Kun; Deng, Wei-Qiao

    2014-08-01

    Zinc-coordinated conjugated microporous polymers (Zn-CMPs), prepared by linking salen zinc and 1,3,5-triethynylbenzene, exhibit extraordinary activities (turnover frequencies of up to 11600 h(-1) ), broad substrate scope, and group tolerance for the synthesis of functional organic carbonates by coupling epoxides with CO2 at 120 °C and 3.0 MPa without the use of additional solvents. The catalytic activity of Zn-CMP is comparable to those of homogeneous catalysts and superior to those of other heterogeneous catalysts. This catalyst could be reused more than ten times without a significant decrease in performance.

  7. Exact canonically conjugate momenta approach to a one-dimensional neutron-proton system, I

    NASA Astrophysics Data System (ADS)

    Nishiyama, Seiya; da Providência, João

    2015-06-01

    Introducing collective variables, a collective description of nuclear surface oscillations has been developed with the first-quantized language, contrary to the second-quantized one in Sunakawa's approach for a Bose system. It overcomes difficulties remaining in the traditional theories of nuclear collective motions: Collective momenta are not exact canonically conjugate to collective coordinates and are not independent. On the contrary to such a description, Tomonaga first gave the basic idea to approach elementary excitations in a one-dimensional Fermi system. The Sunakawa's approach for a Fermi system is also expected to work well for such a problem. In this paper, on the isospin space, we define a density operator and further following Tomonaga, introduce a collective momentum. We propose an exact canonically momenta approach to a one-dimensional neutron-proton (N-P) system under the use of the Grassmann variables.

  8. Coronates, spherical containers, bowl-shaped surfaces, porous 1D-, 2D-, 3D-metallo-coordination polymers, and metallodendrimers.

    PubMed

    Saalfrank, Rolf W; Scheurer, Andreas

    2012-01-01

    Supramolecular coordination cages and polymers bear exceptional advantages over their organic counterparts. They are available in one-pot reactions and in high yields and display physical properties that are generally inaccessible with organic species. Moreover, their weak, reversible, noncovalent bonding interactions facilitate error checking and self-correction. This review emphasizes the achievements in supramolecular coordination container as well as polymer chemistry initiated by serendipity and their materialization based on rational design. The recognition of similarities in the synthesis of different supramolecular assemblies allows prediction of potential structures in related cases. The combination of detailed symmetry considerations with the basic rules of coordination chemistry has only recently allowed for the design of rational strategies for the construction of a variety of nanosized spherical containers, bowls, 1D-, 2D-, and 3D-coordination polymers with specified size and shape. PMID:22160460

  9. Formation of Highly Thermostable Copper-Containing Energetic Coordination Polymers Based on Oxidized Triaminoguanidine.

    PubMed

    Yan, Qi-Long; Cohen, Adva; Petrutik, Natan; Shlomovich, Avital; Zhang, Jian-Guo; Gozin, Michael

    2016-08-24

    A series of novel highly thermostable energetic coordination polymers (ECPs), with promising mechanical sensitivity properties, were prepared by an in situ oxidation-coordination reaction of triaminoguanidine hydrochloride with copper nitrate in aqueous solution. The molecular structures and properties of these ECPs could be tuned, by varying the ratios and concentrations of the starting materials. Our ECPs exhibit remarkable thermostability (>390 °C) and very low sensitivity to impact (Im > 98 J). The best-performing material (ECP-5) has a calculated detonation velocity of 8969 m·s(-1) and a decomposition peak temperature of 396.9 °C, demonstrating an outstanding balance between two inherently contradicting properties: high detonation performance and very low sensitivity.

  10. Formation of Highly Thermostable Copper-Containing Energetic Coordination Polymers Based on Oxidized Triaminoguanidine.

    PubMed

    Yan, Qi-Long; Cohen, Adva; Petrutik, Natan; Shlomovich, Avital; Zhang, Jian-Guo; Gozin, Michael

    2016-08-24

    A series of novel highly thermostable energetic coordination polymers (ECPs), with promising mechanical sensitivity properties, were prepared by an in situ oxidation-coordination reaction of triaminoguanidine hydrochloride with copper nitrate in aqueous solution. The molecular structures and properties of these ECPs could be tuned, by varying the ratios and concentrations of the starting materials. Our ECPs exhibit remarkable thermostability (>390 °C) and very low sensitivity to impact (Im > 98 J). The best-performing material (ECP-5) has a calculated detonation velocity of 8969 m·s(-1) and a decomposition peak temperature of 396.9 °C, demonstrating an outstanding balance between two inherently contradicting properties: high detonation performance and very low sensitivity. PMID:27483139

  11. Electronic, optical, and computational studies of a redox-active napthalenediimide-based coordination polymer.

    PubMed

    Leong, Chanel F; Chan, Bun; Faust, Thomas B; Turner, Peter; D'Alessandro, Deanna M

    2013-12-16

    The new one-dimensional coordination framework (Zn(DMF)NO3)2(NDC)(DPMNI), where NDC = 2,6-naphthalenedicarboxylate and DPMNI = N,N'-bis(4-pyridylmethyl)-1,4,5,8-naphthalenetetracarboxydiimide, which has been crystallographically characterized, exhibits two redox-accessible states due to the successive reduction of the naphthalenediimide (NDI) ligand core. Solid-state electrochemical and vis-near-IR spectroelectrochemical measurements coupled with density functional theory (DFT) calculations enabled the origins of the optical transitions in the spectra of the monoradical anion and dianion states of the material to be assigned. Electron paramagnetic resonance (EPR) spectroscopy revealed that the paramagnetic radical anion state of the DPMNI core could be accessed upon broad-spectrum white light irradiation of the material, revealing a long-lived excited state, possibly stabilized by charge delocalization which arises from extensive π-π* stacking interactions between alternating NDC and NDI aromatic cores which are separated by a distance of 3.580(2) Å. PMID:24283401

  12. 1D coordination polymers with polychalcogenides as linkers between metal atoms

    SciTech Connect

    Kysliak, Oleksandr; Beck, Johannes

    2013-07-15

    The reactions of zinc metal with elemental selenium and selenium/sulfur mixtures in liquid ammonia or methylamine under solvothermal conditions in closed glass ampoules at 50 °C lead within some days specifically to [Zn(NH{sub 3}){sub 2}Se{sub 4}]{sub n} (1), [Zn(MeNH{sub 2}){sub 2}Se{sub 4}]{sub n} (2), [Zn(NH{sub 3}){sub 2}Se{sub 2.23}S{sub 1.77}]{sub n} (3). From MnCl{sub 2}, Rb{sub 2}Se and excess Se in n-butylamine [Mn({sup n}BuNH{sub 2}){sub 4}Se{sub 6}]{sub n} (4) is obtained after prolonged reaction time at ambient temperature. The compounds are sensitive towards air and loss of NH{sub 3} or the amine ligands. The crystal structures were determined by single crystal diffraction at low temperatures. As a common structural feature, all compounds represent 1D coordination polymers with polychalcogenide chains as linkers between the metal atoms and consist of infinite [M–Ch{sub m}–]{sub n} chains (M=Zn, Mn; Ch{sub m}=Se{sub 4}, (S/Se){sub 4}, Se{sub 6}). The Zn central atoms in 1–3 have tetrahedral coordination with two amine ligands, the Mn atoms in 4 have octahedral coordination with four amine ligands and cis position of the two Se atoms. Raman spectra of 1–3 show the stretching mode vibrations of the Ch{sub 4} groups. The observation of S–S, S–Se, and Se–Se vibration bands in the spectrum of 3 indicates the presence of mixed S/Se polyanions. An optical band gap of 1.86(5) eV was determined for 2 by diffuse reflectance spectroscopy. - Graphical abstract: The reaction of Zn and Se in liquid methylamine yields dark red [Zn(NH{sub 2}CH{sub 3})Se{sub 4}], a 1D coordination polymer consisting of helical Zn–Se{sub 4}–Zn– chains. - Highlights: • A series of 1D coordination polymers consisting of metal amine complexes concatenated by polychalcogenide ions is presented. • Syntheses were performed as solvothermal reactions in liquid ammonia, liquid methylamine and n-butylamine. • Crystal structures are dominated by helices [M–Ch{sub m

  13. Spatial coherence properties of one dimensional exciton-polariton condensates.

    PubMed

    Fischer, J; Savenko, I G; Fraser, M D; Holzinger, S; Brodbeck, S; Kamp, M; Shelykh, I A; Schneider, C; Höfling, S

    2014-11-14

    In this work, we combine a systematic experimental investigation of the power- and temperature-dependent evolution of the spatial coherence function, g^{(1)}(r), in a one dimensional exciton-polariton channel with a modern microscopic numerical theory based on a stochastic master equation approach. The spatial coherence function g^{(1)}(r) is extracted via high-precision Michelson interferometry, which allows us to demonstrate that in the regime of nonresonant excitation, the dependence g^{(1)}(r) reaches a saturation value with a plateau, which is determined by the intensity of the pump and effective temperature of the crystal lattice. The theory, which was extended to allow for treating incoherent excitation in a stochastic frame, matches the experimental data with good qualitative and quantitative agreement. This allows us to verify the prediction that the decay of the off-diagonal long-range order can be almost fully suppressed in one dimensional condensate systems.

  14. The one-dimensional Coulomb lattice fluid capacitor

    NASA Astrophysics Data System (ADS)

    Démery, Vincent; Dean, David S.; Hammant, Thomas C.; Horgan, Ronald R.; Podgornik, Rudolf

    2012-08-01

    The one-dimensional Coulomb lattice fluid in a capacitor configuration is studied. The model is formally exactly soluble via a transfer operator method within a field theoretic representation of the model. The only interactions present in the model are the one-dimensional Coulomb interaction between cations and anions and the steric interaction imposed by restricting the maximal occupancy at any lattice site to one particle. Despite the simplicity of the model, a wide range of intriguing physical phenomena arise, some of which are strongly reminiscent of those seen in experiments and numerical simulations of three-dimensional ionic liquid based capacitors. Notably, we find regimes where over-screening and density oscillations are seen near the capacitor plates. The capacitance is also shown to exhibit strong oscillations as a function of applied voltage. It is also shown that the corresponding mean-field theory misses most of these effects. The analytical results are confirmed by extensive numerical simulations.

  15. Fate of classical solitons in one-dimensional quantum systems.

    SciTech Connect

    Pustilnik, M.; Matveev, K. A.

    2015-11-23

    We study one-dimensional quantum systems near the classical limit described by the Korteweg-de Vries (KdV) equation. The excitations near this limit are the well-known solitons and phonons. The classical description breaks down at long wavelengths, where quantum effects become dominant. Focusing on the spectra of the elementary excitations, we describe analytically the entire classical-to-quantum crossover. We show that the ultimate quantum fate of the classical KdV excitations is to become fermionic quasiparticles and quasiholes. We discuss in detail two exactly solvable models exhibiting such crossover, the Lieb-Liniger model of bosons with weak contact repulsion and the quantum Toda model, and argue that the results obtained for these models are universally applicable to all quantum one-dimensional systems with a well-defined classical limit described by the KdV equation.

  16. Entanglement vs. gap for one-dimensional spin systems

    SciTech Connect

    Hastings, Matthew; Aharonov, Dorit; Gottesman, Daniel

    2008-01-01

    We study the relationship between entanglement and spectral gap for local Hamiltonians in one dimension. The area law for a one-dimensional system states that for the ground state, the entanglement of any interval is upper-bounded by a constant independent of the size of the interval. However, the possible dependence of the upper bound on the spectral gap {Delta} is not known, as the best known general upper bound is asymptotically much larger than the largest possible entropy of any model system previously constructed for small {Delta}. To help resolve this asymptotic behavior, we construct a family of one-dimensional local systems for which some intervals have entanglement entropy which is polynomial in 1/{Delta}, whereas previously studied systems had the entropy of all intervals bounded by a constant times log(1/{Delta}).

  17. Excitonic condensation in spatially separated one-dimensional systems

    SciTech Connect

    Abergel, D. S. L.

    2015-05-25

    We show theoretically that excitons can form from spatially separated one-dimensional ground state populations of electrons and holes, and that the resulting excitons can form a quasicondensate. We describe a mean-field Bardeen-Cooper-Schrieffer theory in the low carrier density regime and then focus on the core-shell nanowire giving estimates of the size of the excitonic gap for InAs/GaSb wires and as a function of all the experimentally relevant parameters. We find that optimal conditions for pairing include small overlap of the electron and hole bands, large effective mass of the carriers, and low dielectric constant of the surrounding media. Therefore, one-dimensional systems provide an attractive platform for the experimental detection of excitonic quasicondensation in zero magnetic field.

  18. One-dimensional Hubbard-Luttinger model for carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Ishkhanyan, H. A.; Krainov, V. P.

    2015-06-01

    A Hubbard-Luttinger model is developed for qualitative description of one-dimensional motion of interacting Pi-conductivity-electrons in carbon single-wall nanotubes at low temperatures. The low-lying excitations in one-dimensional electron gas are described in terms of interacting bosons. The Bogolyubov transformation allows one to describe the system as an ensemble of non-interacting quasi-bosons. Operators of Fermi excitations and Green functions of fermions are introduced. The electric current is derived as a function of potential difference on the contact between a nanotube and a normal metal. Deviations from Ohm law produced by electron-electron short-range repulsion as well as by the transverse quantization in single-wall nanotubes are discussed. The results are compared with experimental data.

  19. Scaling properties of one-dimensional driven-dissipative condensates

    NASA Astrophysics Data System (ADS)

    He, Liang; Sieberer, Lukas M.; Altman, Ehud; Diehl, Sebastian

    2015-10-01

    We numerically investigate the scaling properties of a one-dimensional driven-dissipative condensate described by a stochastic complex Ginzburg-Landau equation (SCGLE). We directly extract the static and dynamical scaling exponents from the dynamics of the condensate's phase field, and find that both coincide with the ones of the one-dimensional Kardar-Parisi-Zhang (KPZ) equation. We furthermore calculate the spatial and the temporal two-point correlation functions of the condensate field itself. The decay of the temporal two-point correlator assumes a stretched-exponential form, providing further quantitative evidence for an effective KPZ description. Moreover, we confirm the observability of this nonequilibrium scaling for typical current experimental setups with exciton-polariton systems, if cavities with a reduced Q factor are used.

  20. Nonequilibrium statistical mechanics in one-dimensional bose gases

    NASA Astrophysics Data System (ADS)

    Baldovin, F.; Cappellaro, A.; Orlandini, E.; Salasnich, L.

    2016-06-01

    We study cold dilute gases made of bosonic atoms, showing that in the mean-field one-dimensional regime they support stable out-of-equilibrium states. Starting from the 3D Boltzmann-Vlasov equation with contact interaction, we derive an effective 1D Landau-Vlasov equation under the condition of a strong transverse harmonic confinement. We investigate the existence of out-of-equilibrium states, obtaining stability criteria similar to those of classical plasmas.

  1. On numerical modeling of one-dimensional geothermal histories

    USGS Publications Warehouse

    Haugerud, R.A.

    1989-01-01

    Numerical models of one-dimensional geothermal histories are one way of understanding the relations between tectonics and transient thermal structure in the crust. Such models can be powerful tools for interpreting geochronologic and thermobarometric data. A flexible program to calculate these models on a microcomputer is available and examples of its use are presented. Potential problems with this approach include the simplifying assumptions that are made, limitations of the numerical techniques, and the neglect of convective heat transfer. ?? 1989.

  2. Cooling of a One-Dimensional Bose Gas.

    PubMed

    Rauer, B; Grišins, P; Mazets, I E; Schweigler, T; Rohringer, W; Geiger, R; Langen, T; Schmiedmayer, J

    2016-01-22

    We experimentally study the dynamics of a degenerate one-dimensional Bose gas that is subject to a continuous outcoupling of atoms. Although standard evaporative cooling is rendered ineffective by the absence of thermalizing collisions in this system, we observe substantial cooling. This cooling proceeds through homogeneous particle dissipation and many-body dephasing, enabling the preparation of otherwise unexpectedly low temperatures. Our observations establish a scaling relation between temperature and particle number, and provide insights into equilibration in the quantum world.

  3. Beyond the Born approximation in one-dimensional profile reconstruction

    NASA Astrophysics Data System (ADS)

    Trantanella, Charles J.; Dudley, Donald G.; Nabulsi, Khalid A.

    1995-07-01

    A new method of one-dimensional profile reconstruction is presented. The method is based on an extension to the Born approximation and relates measurements of the scattered field to the Fourier transform of the slab profile. Since the Born and our new approximations are most valid at low frequency, we utilize superresolution to recover high-frequency information and then invert for the slab profile. Finally, we vary different parameters and examine the resulting reconstructions. approximation, profile reconstruction, superresolution.

  4. Interaction of one-dimensional waves in media without dispersion

    NASA Astrophysics Data System (ADS)

    Vasileva, O. A.; Karabutov, A. A.; Lapshin, E. A.; Rudenko, O. V.

    Numerical and analytical studies of the excitation and propagation of nondispersing waves of finite amplitude are examined; difference schemes for the calculation of generalized solutions are considered along with a third-order-accuracy scheme. Attention is given to one-dimensional regular and random perturbations: plane, cylindrical, and spherical convergent waves. A considerable amount of the material is given in the form of tables and figures, which makes it possible to use the work as a handbook.

  5. Superlensing properties of one-dimensional dielectric photonic crystals

    NASA Astrophysics Data System (ADS)

    Savo, Salvatore; di Gennaro, Emiliano; Andreone, Antonello

    2009-10-01

    We present the experimental observation of the superlensing effect in a slab of a one-dimensional photonic crystal made of tilted dielectric elements. We show that this flat lens can achieve subwavelength resolution in different frequency bands. We also demonstrate that the introduction of a proper corrugation on the lens surface can dramatically improve both the transmission and the resolution of the imaged signal.

  6. Defects in a nonlinear pseudo one-dimensional solid

    NASA Astrophysics Data System (ADS)

    Blanchet, Graciela B.; Fincher, C. R., Jr.

    1985-03-01

    These infrared studies of acetanilide together with the existence of two equivalent structures for the hydrogen-bonded chain suggest the possibility of a topological defect state rather than a Davydov soliton as suggested previously. Acetanilide is an example of a class of one-dimensional materials where solitons are a consequence of a twofold degenerate structure and the nonlinear dynamics of the hydrogen-bonded network.

  7. One-dimensional quantum pump simulated by cold atoms

    NASA Astrophysics Data System (ADS)

    Xiao, Yun-Chang; Zhu, Ming-Han; Liu, Zheng-Qin

    2015-05-01

    Quantum pump set up in one-dimensional (1D) channel was proposed by the cold atom simulation. The target pumping system is driven by the double time-dependent potentials. We investigated that the system can be achieved via the study of the cold atoms simulation. And by using the Floquet scattering method and the related transport theories in the mesoscopic systems, simulations of the pumping processes were presented in detail.

  8. Aromatic carboxylate effect on dimensionality of three bis(benzimidazole)-based cobalt(II) coordination polymers: Syntheses, structures and properties

    SciTech Connect

    Zhang, Ju-Wen; Gong, Chun-Hua; Hou, Li-Li; Tian, Ai-Xiang; Wang, Xiu-Li

    2013-09-15

    Three new metal-organic coordination polymers [Co(4-bbc){sub 2}(bbbm)] (1), [Co(3,5-pdc)(bbbm)]·2H{sub 2}O (2) and [Co(1,4-ndc)(bbbm)] (3) (4-Hbbc=4-bromobenzoic acid, 3,5-H{sub 2}pdc=3,5-pyridinedicarboxylic acid, 1,4-H{sub 2}ndc=1,4-naphthalenedicarboxylic acid and bbbm=1,1-(1,4-butanediyl)bis-1H-benzimidazole) were hydrothermally synthesized and structurally characterized. Polymer 1 is a 1D chain formed by the bbbm ligands and Co{sup II} ions. Polymer 2 exhibits a 2D network with a (3·4·5)(3{sup 2}·4·5·6{sup 2}·7{sup 4}) topology. Polymer 3 possesses a 3D three-fold interpenetrating framework. The versatile structures of title polymers indicate that the aromatic carboxylates have an important influence on the dimensionality of 1–3. Moreover, the thermal stability, electrochemical and luminescent properties of 1–3 were investigated. - graphical abstract: Three bis(benzimidazole)-based cobalt(II) coordination polymers tuned by aromatic carboxylates were hydrothermally synthesized and structurally characterized. The aromatic carboxylates play a key role in the dimensionality of three polymers. The electrochemical and luminescent properties of three polymers were investigated. Display Omitted - Highlights: • Three bis(benzimidazole)-based cobalt(II) coordination polymers tuned by aromatic carboxylates were obtained. • The aromatic carboxylates have an important influence on the dimensionality of three polymers. • The electrochemical and luminescent properties of three polymers were investigated.

  9. Cryptography using multiple one-dimensional chaotic maps

    NASA Astrophysics Data System (ADS)

    Pareek, N. K.; Patidar, Vinod; Sud, K. K.

    2005-10-01

    Recently, Pareek et al. [Phys. Lett. A 309 (2003) 75] have developed a symmetric key block cipher algorithm using a one-dimensional chaotic map. In this paper, we propose a symmetric key block cipher algorithm in which multiple one-dimensional chaotic maps are used instead of a one-dimensional chaotic map. However, we also use an external secret key of variable length (maximum 128-bits) as used by Pareek et al. In the present cryptosystem, plaintext is divided into groups of variable length (i.e. number of blocks in each group is different) and these are encrypted sequentially by using randomly chosen chaotic map from a set of chaotic maps. For block-by-block encryption of variable length group, number of iterations and initial condition for the chaotic maps depend on the randomly chosen session key and encryption of previous block of plaintext, respectively. The whole process of encryption/decryption is governed by two dynamic tables, which are updated time to time during the encryption/decryption process. Simulation results show that the proposed cryptosystem requires less time to encrypt the plaintext as compared to the existing chaotic cryptosystems and further produces the ciphertext having flat distribution of same size as the plaintext.

  10. Yttrium-succinates coordination polymers: Hydrothermal synthesis, crystal structure and thermal decomposition

    SciTech Connect

    Amghouz, Zakariae; Roces, Laura; Garcia-Granda, Santiago; Garcia, Jose R.; Souhail, Badredine; Mafra, Luis; Shi, Fa-nian; Rocha, Joao

    2009-12-15

    New polymeric yttrium-succinates, Y{sub 2}(C{sub 4}H{sub 4}O{sub 4}){sub 3}(H{sub 2}O){sub 4}.6H{sub 2}O and Y{sub 2}(C{sub 4}H{sub 4}O{sub 4}){sub 3}(H{sub 2}O){sub 2}, have been synthesized, and their structures (solved by single crystal XRD) are compared with that of Y{sub 2}(C{sub 4}H{sub 4}O{sub 4}){sub 3}(H{sub 2}O){sub 2}.H{sub 2}O. Three compounds were obtained as single phases, and their thermal behaviour is described. - Graphical abstract: In the field of coordination polymers or MOF's, few studies report on the polymorphs of Ln(III)-succinic acid. Here, we describe the hydrothermal synthesis and structural characterization of two novel yttrium-succinates coordination polymers, respectively 2D and 3D, Y{sub 2}(C{sub 4}H{sub 4}O{sub 4}){sub 3}(H{sub 2}O){sub 4}.6H{sub 2}O and Y{sub 2}(C{sub 4}H{sub 4}O{sub 4}){sub 3}(H{sub 2}O){sub 2}.

  11. Facile fabrication of MIL-103(Eu) porous coordination polymer nanostructures and their sorption and sensing properties.

    PubMed

    Liu, Qing; Yang, Ji-Min; Guo, Fan; Jin, Li-Na; Sun, Wei-Yin

    2016-04-01

    Nano/microscale lanthanide porous coordination polymer MIL-103(Eu) [Eu(BTB)] (H3BTB = 4,4',4''-benzene-1,3,5-triyl-tribenzoic acid) crystals have been fabricated at room temperature by a facile, convenient and environmentally friendly method. The structures of the products were confirmed by powder X-ray diffraction, and the crystal morphologies, including microrods, nanorods and nanospheres, were characterized by scanning electron microscopy. It is found that the addition of sodium acetate and the concentration of the reactants have an important impact on the morphology and size of the MIL-103(Eu) crystals. Gas adsorption measurements reveal that the products show high specific surface areas among the rare earth based coordination polymers and the MIL-103(Eu) nanorods can selectively adsorb CO2 over N2 under ambient conditions. Furthermore, all the products exhibit red emission corresponding to the (5)D0→(7)F2 transition of the Eu(iii) ion, and MIL-103(Eu) nanorods display sensitive and selective sensing for Cu(ii) ions and acetone molecules in solution.

  12. Syntheses, crystal structures, and properties of new metal--5-bromonicotinate coordination polymers

    NASA Astrophysics Data System (ADS)

    Li, Wenjie; Li, Guoting; Lv, Lulu; Zhao, Hong; Wu, Benlai

    2015-05-01

    Four metal-5-bromonicotinate (Brnic) coordination polymers [Fe(Brnic)2(H2O)2]n (1), [Ni(Brnic)2]n (2), [Ni(Brnic)(bpy)(H2O)2]n·n(Brnic)·4.5nH2O (3), and [Co2(Brnic)3(bpy)2(OH)]n·nH2O (4) have been synthesized and structurally characterized (bpy=4,4‧-bipyridine). Complex 1 has corrugated (4,4) sheets formed by μ-Brnic ligands and planar nodes Fe(II). As for 2-4, they all built up from Brnic-bridged dinuclear subunits, but have very different structure features. Complex 2 is a twin-like polymer with (4,4) layers formed by twin paddle-wheel [Ni2(Brnic)4] subunits. Through the bridge coordination of bpy ligands with dinuclear rings [Ni2(Brnic)2] and trigons [Co2(Brnic)3(OH)], 63-topological cationic layers with nanosized grids of 3 and chiral ladder-type double chains of 4 formed, respectively. Notably, halogen-related interactions play an important role in the formation of 3D metallosupermolecules 1-4. The thermostabilities of all compounds have been discussed in detail. Moreover, the magnetic investigations of 2 and 4 indicate that there exist antiferromagnetic interactions in the paddle-wheel [Ni2(Brnic)4] and trigon [Co2(Brnic)3(OH)] cores, respectively.

  13. Four coordination polymers derived from a one-pot reaction and their controlled synthesis.

    PubMed

    Yan, Wei; Hao, Han; Zheng, Hegen

    2016-04-21

    Four different Co(ii) coordination polymers have been built by two flexible ligands 4,4'-dicarboxydiphenyl sulfone (4,4'-sdb) and 1,4-bis((1H-imidazol-1-yl)methyl) benzene (BMB) in a one-pot solvothermal reaction. The structures of and are new, and and have been reported. The crystal structures of were obtained, namely [Co(4,4'-sdb)(BMB)]n (), {[Co2(4,4'-sdb)2(BMB)]·2H2O}n (), and [Co3(4,4'-sdb)2(DMF)(H2O)3]n (), but was confirmed by PXRD. Both and are 2D layered structures with sql topology and their point symbol is {4(4)·6(2)}. These complexes have been characterized by single crystal X-ray diffraction, infrared spectroscopy, thermogravimetry, elemental analysis, and powder X-ray diffraction measurements. By changing the synthesis conditions, four different Co(ii) coordination polymers can be obtained respectively. PMID:26948000

  14. Utilization of mixed ligands to construct two new coordination polymers: Syntheses, structures and properties

    NASA Astrophysics Data System (ADS)

    Wang, Yansong; Zhou, Zhimin

    2015-08-01

    The use of triazine and aromatic carboxylic acid as mixed chelating ligands in preparing two coordination polymers is described. Two new transition-metal coordination polymers, namely, [Co2(bpdc)4(phdat)2] (1) and [Zn(bpdc)]n (2) (H2bpdc=2,4-biphenyldicarboxylic acid, phdat=2,4-diamine-6-phenyl-1,3,5-triazine), have been hydrothermally synthesized and structurally characterized by IR, elemental analyses, X-ray single-crystal diffraction and TGA. Compound 1 is a 0D structure and extends to a 3D network by two different N-H···O and N-H···N hydrogen bonds. Compound 2 exhibits a 2D network with 44.62 topological net, which contains two kinds of single helical chains. The interactions within each Co(II)-Co(II) pair of compound 1 are antiferromagnetic (g=2.19, J=-22 K, zj‧=-0.00351 K). Furthermore, the photoluminescence property of 2 was also investigated in the solid state at room temperature.

  15. Supramolecular self-assembly of 1D and 3D heterometallic coordination polymers with triruthenium building blocks.

    PubMed

    Chan, Sharon Lai-Fung; Gao, Song; Chui, Stephen Sin-Yin; Shek, Lam; Huang, Jie-Sheng; Che, Chi-Ming

    2012-09-01

    Ru(3)(TSA)(6) (1; H(2)TSA=2-thiosalicylic acid), which bears six peripheral carboxylate groups and was isolated in the form [NEt(4)](1.5)[Ru(3)(HTSA)(2)(TSA)(4)](OAc)(0.5)·3.5H(2)O, serves as a building block for assembly of heterometallic coordination polymers. Treatment of 1 with [Fe(acac)(3)] (acac=acetylacetonate) in EG/H(2)O (EG=ethylene glycol) afforded 1D Ru(3)-Fe coordination polymer 2 by means of the connection of the building block 1 through iron centers. Treatment of 1 with MnCl(2) in EG resulted in the formation of 1D Ru(3)-Mn(3) coordination polymer 3, which features self-assembled polynuclear linking units Mn(3)(OCH(2)CH(2)O)(3), each of which contains a planar Mn(3)O(3) ring. By treating 1 with Gd(NO(3))(3) and NaHCO(3) in EG, a 3D Ru(3)-Gd(6) coordination polymer 4 was obtained; this 3D coordination polymer features unprecedented Gd(6)(μ(3)-CO(3))(4) units. The magnetic properties of 1-4, along with DFT calculations on the electronic structure of 1, are also described.

  16. Spectroscopic properties of a series of Co(II) coordination polymers and the influence of Co(II) coordination environment on photoelectric property

    NASA Astrophysics Data System (ADS)

    Jin, Jing; Gong, Yuanyuan; Li, Lei; Han, Xiao; Meng, Qin; Liu, Yonghua; Niu, Shuyun

    2015-02-01

    Four Co(II) coordination polymers, [Co(suc)]n1, [Co(pdc)]n2, {[Co7(suc)4(OH)6(H2O)3] · 8H2O}n3, {[Co(bdc)(phen)(H2O)] · H2O}n4 (H2suc = succinic acid, H2pdc = pyridine-3,4-dicarboxylic acid, H2bdc = 1,2-benzenedicarboxylic acid, phen = 1,10-phenanthroline) were hydrothermally synthesized and characterized by X-ray single-crystal diffraction, surface photovoltage spectroscopy (SPS), electrical conductivity, thermogravimetric analysis (TG), ultraviolet visible and near-infrared absorption spectrum (UV-Vis-NIR), infrared spectrum (IR), and elemental analysis. The structural analyses indicate that the coordination numbers of the Co(II) ions are 4, 5, 6 and 6 for the polymers 1-4, respectively. And polymers 1 and 2 exhibit 3D structure formed by suc2- and pdc2- anions bridging Co(II) ions, respectively. Polymer 3 exhibits a 2D structure with suc2- anions bridging seven-nuclear [Co7(OH)6(H2O)3]3- unit and polymer 4 is a 1D structure bridged by bdc2- anions. The surface photoelectric properties of the cobalt polymers were mainly studied by SPS. The results of SPS reveal that all polymers possess certain photoelectric conversion property in the range of 300-800 nm. The influences of the structure, coordination micro-environment of central metal ion and structural dimensionality on response bands of SPS were discussed.

  17. Spectroscopic properties of a series of Co(II) coordination polymers and the influence of Co(II) coordination environment on photoelectric property.

    PubMed

    Jin, Jing; Gong, Yuanyuan; Li, Lei; Han, Xiao; Meng, Qin; Liu, Yonghua; Niu, Shuyun

    2015-02-25

    Four Co(II) coordination polymers, [Co(suc)]n 1, [Co(pdc)]n 2, {[Co7(suc)4(OH)6(H2O)3]·8H2O}n 3, {[Co(bdc)(phen)(H2O)]·H2O}n 4 (H2suc=succinic acid, H2pdc=pyridine-3,4-dicarboxylic acid, H2bdc=1,2-benzenedicarboxylic acid, phen=1,10-phenanthroline) were hydrothermally synthesized and characterized by X-ray single-crystal diffraction, surface photovoltage spectroscopy (SPS), electrical conductivity, thermogravimetric analysis (TG), ultraviolet visible and near-infrared absorption spectrum (UV-Vis-NIR), infrared spectrum (IR), and elemental analysis. The structural analyses indicate that the coordination numbers of the Co(II) ions are 4, 5, 6 and 6 for the polymers 1-4, respectively. And polymers 1 and 2 exhibit 3D structure formed by suc(2-) and pdc(2-) anions bridging Co(II) ions, respectively. Polymer 3 exhibits a 2D structure with suc(2-) anions bridging seven-nuclear [Co7(OH)6(H2O)3](3-) unit and polymer 4 is a 1D structure bridged by bdc(2-) anions. The surface photoelectric properties of the cobalt polymers were mainly studied by SPS. The results of SPS reveal that all polymers possess certain photoelectric conversion property in the range of 300-800 nm. The influences of the structure, coordination micro-environment of central metal ion and structural dimensionality on response bands of SPS were discussed.

  18. Spectroscopic properties of a series of Co(II) coordination polymers and the influence of Co(II) coordination environment on photoelectric property.

    PubMed

    Jin, Jing; Gong, Yuanyuan; Li, Lei; Han, Xiao; Meng, Qin; Liu, Yonghua; Niu, Shuyun

    2015-02-25

    Four Co(II) coordination polymers, [Co(suc)]n 1, [Co(pdc)]n 2, {[Co7(suc)4(OH)6(H2O)3]·8H2O}n 3, {[Co(bdc)(phen)(H2O)]·H2O}n 4 (H2suc=succinic acid, H2pdc=pyridine-3,4-dicarboxylic acid, H2bdc=1,2-benzenedicarboxylic acid, phen=1,10-phenanthroline) were hydrothermally synthesized and characterized by X-ray single-crystal diffraction, surface photovoltage spectroscopy (SPS), electrical conductivity, thermogravimetric analysis (TG), ultraviolet visible and near-infrared absorption spectrum (UV-Vis-NIR), infrared spectrum (IR), and elemental analysis. The structural analyses indicate that the coordination numbers of the Co(II) ions are 4, 5, 6 and 6 for the polymers 1-4, respectively. And polymers 1 and 2 exhibit 3D structure formed by suc(2-) and pdc(2-) anions bridging Co(II) ions, respectively. Polymer 3 exhibits a 2D structure with suc(2-) anions bridging seven-nuclear [Co7(OH)6(H2O)3](3-) unit and polymer 4 is a 1D structure bridged by bdc(2-) anions. The surface photoelectric properties of the cobalt polymers were mainly studied by SPS. The results of SPS reveal that all polymers possess certain photoelectric conversion property in the range of 300-800 nm. The influences of the structure, coordination micro-environment of central metal ion and structural dimensionality on response bands of SPS were discussed. PMID:25280332

  19. Variations of structures and solid-state conductivity of isomeric silver(I) coordination polymers having linear and V-shaped thiophene-centered ditriazole ligands

    SciTech Connect

    Hu, Bin; Geng, Jiao; Zhang, Lie; Huang, Wei

    2014-07-01

    A pair of new linear and V-shaped acceptor–donor–acceptor (A−D−A) thiophene-centered ditriazole structural isomers, i.e., 2,5-di(1H-1,2,4-triazol-1-yl)thiophene (L{sup 1}) and 3,4-di(1H-1,2,4-triazol-1-yl)thiophene (L{sup 2}), has been synthesized and characterized. They are used as μ{sub 2}-bridging ligands to prepare a pair of silver(I) coordination polymers formulated as [Ag(L{sup 1})(NO{sub 3})]{sub n} (1) and [Ag(L{sup 2})(NO{sub 3})]{sub n} (2), which are also structural isomers at the supramolecular level. X-ray single-crystal diffraction analyses for 1 and 2 reveal that they exhibit the same one-dimensional (1D) coordination polymers but different structural architectures because of the distinguishable shape and configuration of isomeric ligands (L{sup 1} and L{sup 2}) and the alterations of the coordination numbers. More interestingly, compared with the free ligands, 1D silver(I) polymeric isomers 1 and 2 show significant enhancement of solid-state conductivity to different extents (1.42×10{sup 4} and 2.17×10{sup 3} times), where 6.96 times' enhancement of solid-state conductivity from 1 to 2 has been observed. The formation of Ag–N coordinative bonds and the configurational discrepancy of L{sup 1} and L{sup 2} are believed to play important roles in facilitating the electron transport between molecules, which can also be supported by Density Function Theory calculations of their band gaps. - Graphical abstract: A pair of linear and V-shaped isomeric thiophene-centered ditriazole ligands (L{sup 1}) and L{sup 2} are used to prepare a pair of silver(I) polymeric isomers (1 and 2), where significant enhancement of solid-state conductivity to different extents are observed originating from the distinguishable shape and configuration of isomeric ligands. - Highlights: • A pair of linear and V-shaped thiophene-centered ditriazole structural isomers is prepared. • They are used as µ{sub 2}-bridging ligands to prepare a pair of silver

  20. Utilization of mixed ligands to construct two new coordination polymers: Syntheses, structures and properties

    SciTech Connect

    Wang, Yansong; Zhou, Zhimin

    2015-08-15

    The use of triazine and aromatic carboxylic acid as mixed chelating ligands in preparing two coordination polymers is described. Two new transition-metal coordination polymers, namely, [Co{sub 2}(bpdc){sub 4}(phdat){sub 2}] (1) and [Zn(bpdc)]{sub n} (2) (H{sub 2}bpdc=2,4-biphenyldicarboxylic acid, phdat=2,4-diamine-6-phenyl-1,3,5-triazine), have been hydrothermally synthesized and structurally characterized by IR, elemental analyses, X-ray single-crystal diffraction and TGA. Compound 1 is a 0D structure and extends to a 3D network by two different N–H···O and N–H···N hydrogen bonds. Compound 2 exhibits a 2D network with 4{sup 4}.6{sup 2} topological net, which contains two kinds of single helical chains. The interactions within each Co(II)–Co(II) pair of compound 1 are antiferromagnetic (g=2.19, J=−22 K, zj′=−0.00351 K). Furthermore, the photoluminescence property of 2 was also investigated in the solid state at room temperature. - Graphical abstract: Two polymeric metal compounds based on mixed-ligands were synthesized and characterized. The use of different metal ions results in distinct structures. The magnetic and fluorescent properties were also studied. - Highlights: • The first bpdc{sup 2−}/phdat-based 0D discrete coordination complex. • A new 2D architecture with two kinds of helical chains. • The structure-dependent magnetism and photoluminescence properties.

  1. Alkaline earth-based coordination polymers derived from a cyclotriphosphazene-functionalized hexacarboxylate

    NASA Astrophysics Data System (ADS)

    Ling, Yajing; Bai, Dongjie; Feng, Yunlong; He, Yabing

    2016-10-01

    Combination of hexakis(4-carboxylatephenoxy)cyclotriphosphazene with alkaline earth ions of increasing ionic radii (Mg2+, Ca2+ and Ba2+) under different solvothermal conditions yielded three new coordination polymers, and their crystal structures were determined by single-crystal X-ray diffraction analysis. The magnesium compound displays a three dimensional (3D) network structure constructed from the deprotonated ligand and the secondary building block Mg(COO)4, which can be rationalized as a (4,6)-connected topological net with the Schläfli symbol of (44·62)3(49·66)2. The calcium compound consists of 1D infinite "Ca-O" inorganic chains connected by the deprotonated ligands to from a 3D framework. The barium compound exhibits a 3D framework in which 1D "Ba-O" inorganic chains are connected together by the deprotonated organic linkers. Due to the semi-rigid nature, the ligand adopts distinctly different conformations in the three compounds. The metal ions' influence exerted on the final structure of the resulting coordination polymers is also discussed. When the radii of alkaline earth ions increases descending down the group from Mg(II) to Ba(II), the coordination number becomes larger and more versatile: from 6 in the magnesium compound, to 6,7 and 10 in the calcium compound, and to 8 and 9 in the barium compound, thus substantially influencing the resulting final framework structures. Also, the photophysical properties were investigated systematically, revealing that the three compounds are photoluminscent in the solid state at room temperature. This work demonstrates that although the multiplicity of conformation in the hexacarboxylate ligand based on the inorganic scaffold cyclotriphosphazene makes it difficult to predict how this ligand will form extended network, but provides unique opportunities for the formation of diverse inorganic-organic hybrids exhibiting rich structural topologies.

  2. Smart lanthanide coordination polymer fluorescence probe for mercury(II) determination.

    PubMed

    Liu, Baoxia; Huang, Yankai; Zhu, Xu; Hao, Yuanqiang; Ding, Yujie; Wei, Wei; Wang, Qi; Qu, Peng; Xu, Maotian

    2016-03-17

    Lanthanide coordination polymers (LCPs) have recently emerged as attractive biosensor materials due to their flexible components, high tailorable properties and unique luminescence features. In this work, we designed a smart LCP probe of Tb-CIP/AMP {(CIP, ciprofloxacin) (AMP, adenosine monophosphate)} for Hg(2+) detection by using lanthanide ions as metal nodes, CIP as ligand molecule, and AMP as bridging linker and recognition unit. Tb-CIP/AMP emits strong green luminescence due to the inclusion of AMP, which withdraws the coordinated water molecules and shields Tb(3+) from the quenching effect of O-H vibration in water molecules. The subsequent addition of Hg(2+) into Tb-CIP/AMP can strongly quench the fluorescence because of the specific coordination interaction between AMP and Hg(2+). As a kind of Hg(2+) nanosensor, the probe exhibited excellent selectivity for Hg(2+) and high sensitivity with detection limit of 0.16 nM. In addition, the probe has long fluorescence lifetime up to millisecond and has been applied to detect Hg(2+) in drinking water and human urine samples with satisfactory results. We envision that our strategy, in the future, could be extended to the designation of other LCP-based hypersensitive time-gated luminescence assays in biological media and biomedical imaging. PMID:26920783

  3. Quantum single-particle properties in a one-dimensional curved space

    NASA Astrophysics Data System (ADS)

    Pedersen, J. K.; Fedorov, D. V.; Jensen, A. S.; Zinner, N. T.

    2016-10-01

    We consider one particle confined to a deformed one-dimensional wire. The quantum mechanical equivalent of the classical problem is not uniquely defined. We describe several possible Hamiltonians and corresponding solutions for a finite wire with fixed endpoints and non-vanishing curvature. We compute and compare the disparate eigenvalues and eigenfunctions obtained from different quantization prescriptions. The JWKB approximation without potential leads precisely to the square well spectrum and the coordinate dependent stretched or compressed box related eigenfunctions. The geometric potential arising from an adiabatic expansion in terms of curvature may be correct but it can only be valid for small curvature.

  4. One-dimensional velocity model of the Middle Kura Depresion from local earthquakes data of Azerbaijan

    NASA Astrophysics Data System (ADS)

    Yetirmishli, G. C.; Kazimova, S. E.; Kazimov, I. E.

    2011-09-01

    We present the method for determining the velocity model of the Earth's crust and the parameters of earthquakes in the Middle Kura Depression from the data of network telemetry in Azerbaijan. Application of this method allowed us to recalculate the main parameters of the hypocenters of the earthquake, to compute the corrections to the arrival times of P and S waves at the observation station, and to significantly improve the accuracy in determining the coordinates of the earthquakes. The model was constructed using the VELEST program, which calculates one-dimensional minimal velocity models from the travel times of seismic waves.

  5. One-dimensional plate impact experiments on the cyclotetramethylene tetranitramine (HMX) based explosive EDC32

    NASA Astrophysics Data System (ADS)

    Burns, Malcolm J.; Gustavsen, Richard L.; Bartram, Brian D.

    2012-09-01

    Eight one-dimensional plate impact experiments have been performed to study both the Shock to Detonation Transition and Hugoniot state in the cyclotetramethylene tetranitramine (HMX) based explosive EDC32. The experiments covered shock pressures ranging from 0.59 to 7.5 GPa with sustained shocks, double shocks, and short pulse shocks. Experiments were instrumented with embedded magnetic particle velocity gauges. Results include; (1) wave profiles of particle velocity vs. time vs. depth in the explosive, (2) time-distance coordinates for onset of detonation vs. initial shock pressure (aka the Pop-plot), (3) a reactants Hugoniot, and (4) measurement of the Hugoniot Elastic Limit of 0.22.GPa.

  6. Electrochemical Li-Ion Intercalation in Octacyanotungstate-Bridged Coordination Polymer with Evidence of Three Magnetic Regimes.

    PubMed

    Long, Jérôme; Asakura, Daisuke; Okubo, Masashi; Yamada, Atsuo; Guari, Yannick; Larionova, Joulia

    2016-08-01

    Discovery of novel compounds capable of electrochemical ion intercalation is a primary step toward development of advanced electrochemical devices such as batteries. Although cyano-bridged coordination polymers including Prussian blue analogues have been intensively investigated as ion intercalation materials, the solid-state electrochemistry of the octacyanotungstate-bridged coordination polymer has not been investigated. Here, we demonstrate that an octacyanotungstate-bridged coordination polymer Tb(H2O)5[W(CN)8] operates as a Li(+)-ion intercalation electrode material. The detailed magnetic measurements reveal that the tunable amount of intercalated Li(+) ion in the solid-state redox reaction between paramagnetic [W(V)(CN)8](3-) and diamagnetic [W(IV)(CN)8](4-) in the framework enables the electrochemical control of different magnetic regimes. While the initial ferromagnetic long-range ordering is irreversibly lost upon lithium insertion, electrochemical switching between paramagnetic and short-range ordering regimes can be achieved. PMID:27420412

  7. A visual and reversible assay for temperature using thioflavin T-doped lanthanide/nucleotide coordination polymers.

    PubMed

    Li, Yan-Yun; Jiang, Xiao-Qin; Zhang, Min; Shi, Guoyue

    2016-04-21

    In this work, we prepared a type of thioflavin T (ThT)-doped lanthanide/nucleotide coordination polymer by the self-assembly of ThT, europium ions (Eu(3+)) and nucleotides (guanosine monophosphate, GMP) in aqueous solution (i.e. ThT/Eu/GMP). The Eu/GMP coordination polymers show excellent adaptive inclusion properties for ThT in a convenient one-step approach, which can readily enhance the fluorescence of ThT via the restricted effect. Moreover, the as-prepared hydrophilic ThT/Eu/GMP coordination polymers have the capability to act as a temperature-sensitive, visual and reversible sensor in aqueous solution under the irradiation of visible light. Our proposed design is cost-effective and simple to prepare without chemical modification or fluorescence labeling. PMID:27010102

  8. Electrochemical Li-Ion Intercalation in Octacyanotungstate-Bridged Coordination Polymer with Evidence of Three Magnetic Regimes.

    PubMed

    Long, Jérôme; Asakura, Daisuke; Okubo, Masashi; Yamada, Atsuo; Guari, Yannick; Larionova, Joulia

    2016-08-01

    Discovery of novel compounds capable of electrochemical ion intercalation is a primary step toward development of advanced electrochemical devices such as batteries. Although cyano-bridged coordination polymers including Prussian blue analogues have been intensively investigated as ion intercalation materials, the solid-state electrochemistry of the octacyanotungstate-bridged coordination polymer has not been investigated. Here, we demonstrate that an octacyanotungstate-bridged coordination polymer Tb(H2O)5[W(CN)8] operates as a Li(+)-ion intercalation electrode material. The detailed magnetic measurements reveal that the tunable amount of intercalated Li(+) ion in the solid-state redox reaction between paramagnetic [W(V)(CN)8](3-) and diamagnetic [W(IV)(CN)8](4-) in the framework enables the electrochemical control of different magnetic regimes. While the initial ferromagnetic long-range ordering is irreversibly lost upon lithium insertion, electrochemical switching between paramagnetic and short-range ordering regimes can be achieved.

  9. In-syringe extraction using dissolvable layered double hydroxide-polymer sponges templated from hierarchically porous coordination polymers.

    PubMed

    Ghani, Milad; Frizzarin, Rejane M; Maya, Fernando; Cerdà, Víctor

    2016-07-01

    Herein we report the use of cobalt porous coordination polymers (PCP) as intermediates to prepare advanced extraction media based on layered double hydroxides (LDH) supported on melamine polymer foam. The obtained dissolvable Ni-Co LDH composite sponges can be molded and used as sorbent for the in-syringe solid-phase extraction (SPE) of phenolic acids from fruit juices. The proposed sorbent is obtained due to the surfactant-assisted self-assembly of Co(II)/imidazolate PCPs on commercially available melamine foam, followed by the in situ conversion of the PCP into the final dissolvable LDH coating. Advantageous features for SPE are obtained by using PCPs with hierarchical porosity (HPCPs). The LDH-sponge prepared using intermediate HPCPs (HLDH-sponge) is placed in the headspace of a glass syringe, enabling flow-through extraction followed by analyte elution by the dissolution of the LDH coating in acidic conditions. Three phenolic acids (gallic acid, p-hydroxybenzoic acid and caffeic acid) were extracted and quantified using high performance liquid chromatography. Using a 5mL sample volume, the obtained detection limits were 0.15-0.35μgL(-1). The proposed method for the preparation of HLDH-sponges showed a good reproducibility as observed from the intra- and inter-day RSD's, which were <10% for all analytes. The batch-to-batch reproducibility for three different batches of HLDH-sponges was 10.6-11.2%. Enrichment factors of 15-21 were obtained. The HLDH-sponges were applied satisfactorily to the determination of phenolic acids in natural and commercial fruit juices, obtaining relative recoveries among 89.7-95.3%.

  10. A two-dimensional mixed-valence Cu(II)/Cu(I) coordination polymer constructed from 2-(pyridin-3-yl)-1H-imidazole-4,5-dicarboxylate.

    PubMed

    Zhang, Li Yang; Lu, Li Ping; Feng, Si Si

    2016-08-01

    Coordination polymers are a thriving class of functional solid-state materials and there have been noticeable efforts and progress toward designing periodic functional structures with desired geometrical attributes and chemical properties for targeted applications. Self-assembly of metal ions and organic ligands is one of the most efficient and widely utilized methods for the construction of CPs under hydro(solvo)thermal conditions. 2-(Pyridin-3-yl)-1H-imidazole-4,5-dicarboxylate (HPIDC(2-)) has been proven to be an excellent multidentate ligand due to its multiple deprotonation and coordination modes. Crystals of poly[aquabis[μ3-5-carboxy-2-(pyridin-3-yl)-1H-imidazole-4-carboxylato-κ(5)N(1),O(5):N(3),O(4):N(2)]copper(II)dicopper(I)], [Cu(II)Cu(I)2(C10H5N3O4)2(H2O)]n, (I), were obtained from 2-(pyridin-3-yl)-1H-imidazole-4,5-dicarboxylic acid (H3PIDC) and copper(II) chloride under hydrothermal conditions. The asymmetric unit consists of one independent Cu(II) ion, two Cu(I) ions, two HPIDC(2-) ligands and one coordinated water molecule. The Cu(II) centre displays a square-pyramidal geometry (CuN2O3), with two N,O-chelating HPIDC(2-) ligands occupying the basal plane in a trans geometry and one O atom from a coordinated water molecule in the axial position. The Cu(I) atoms adopt three-coordinated Y-shaped coordinations. In each [CuN2O] unit, deprotonated HPIDC(2-) acts as an N,O-chelating ligand, and a symmetry-equivalent HPIDC(2-) ligand acts as an N-atom donor via the pyridine group. The HPIDC(2-) ligands in the polymer serve as T-shaped 3-connectors and adopt a μ3-κ(2)N,O:κ(2)N',O':κN''-coordination mode, linking one Cu(II) and two Cu(I) cations. The Cu cations are arranged in one-dimensional -Cu1-Cu2-Cu3- chains along the [001] direction. Further crosslinking of these chains by HPIDC(2-) ligands along the b axis in a -Cu2-HPIDC(2-)-Cu3-HPIDC(2-)-Cu1- sequence results in a two-dimensional polymer in the (100) plane. The resulting (2,3)-connected net has a

  11. A two-dimensional mixed-valence Cu(II)/Cu(I) coordination polymer constructed from 2-(pyridin-3-yl)-1H-imidazole-4,5-dicarboxylate.

    PubMed

    Zhang, Li Yang; Lu, Li Ping; Feng, Si Si

    2016-08-01

    Coordination polymers are a thriving class of functional solid-state materials and there have been noticeable efforts and progress toward designing periodic functional structures with desired geometrical attributes and chemical properties for targeted applications. Self-assembly of metal ions and organic ligands is one of the most efficient and widely utilized methods for the construction of CPs under hydro(solvo)thermal conditions. 2-(Pyridin-3-yl)-1H-imidazole-4,5-dicarboxylate (HPIDC(2-)) has been proven to be an excellent multidentate ligand due to its multiple deprotonation and coordination modes. Crystals of poly[aquabis[μ3-5-carboxy-2-(pyridin-3-yl)-1H-imidazole-4-carboxylato-κ(5)N(1),O(5):N(3),O(4):N(2)]copper(II)dicopper(I)], [Cu(II)Cu(I)2(C10H5N3O4)2(H2O)]n, (I), were obtained from 2-(pyridin-3-yl)-1H-imidazole-4,5-dicarboxylic acid (H3PIDC) and copper(II) chloride under hydrothermal conditions. The asymmetric unit consists of one independent Cu(II) ion, two Cu(I) ions, two HPIDC(2-) ligands and one coordinated water molecule. The Cu(II) centre displays a square-pyramidal geometry (CuN2O3), with two N,O-chelating HPIDC(2-) ligands occupying the basal plane in a trans geometry and one O atom from a coordinated water molecule in the axial position. The Cu(I) atoms adopt three-coordinated Y-shaped coordinations. In each [CuN2O] unit, deprotonated HPIDC(2-) acts as an N,O-chelating ligand, and a symmetry-equivalent HPIDC(2-) ligand acts as an N-atom donor via the pyridine group. The HPIDC(2-) ligands in the polymer serve as T-shaped 3-connectors and adopt a μ3-κ(2)N,O:κ(2)N',O':κN''-coordination mode, linking one Cu(II) and two Cu(I) cations. The Cu cations are arranged in one-dimensional -Cu1-Cu2-Cu3- chains along the [001] direction. Further crosslinking of these chains by HPIDC(2-) ligands along the b axis in a -Cu2-HPIDC(2-)-Cu3-HPIDC(2-)-Cu1- sequence results in a two-dimensional polymer in the (100) plane. The resulting (2,3)-connected net has a

  12. One-Dimensional Scanning Approach to Shock Sensing

    NASA Technical Reports Server (NTRS)

    Tokars, Roger; Adamovsky, Girgory; Floyd, Bertram

    2009-01-01

    Measurement tools for high speed air flow are sought both in industry and academia. Particular interest is shown in air flows that exhibit aerodynamic shocks. Shocks are accompanied by sudden changes in density, pressure, and temperature. Optical detection and characterization of such shocks can be difficult because the medium is normally transparent air. A variety of techniques to analyze these flows are available, but they often require large windows and optical components as in the case of Schlieren measurements and/or large operating powers which precludes their use for in-flight monitoring and applications. The one-dimensional scanning approach in this work is a compact low power technique that can be used to non-intrusively detect shocks. The shock is detected by analyzing the optical pattern generated by a small diameter laser beam as it passes through the shock. The optical properties of a shock result in diffraction and spreading of the beam as well as interference fringes. To investigate the feasibility of this technique a shock is simulated by a 426 m diameter optical fiber. Analysis of results revealed a direct correlation between the optical fiber or shock location and the beam s diffraction pattern. A plot of the width of the diffraction pattern vs. optical fiber location reveals that the width of the diffraction pattern was maximized when the laser beam is directed at the center of the optical fiber. This work indicates that the one-dimensional scanning approach may be able to determine the location of an actual shock. Near and far field effects associated with a small diameter laser beam striking an optical fiber used as a simulated shock are investigated allowing a proper one-dimensional scanning beam technique.

  13. The solving of one dimensional unsteady flow with difference methods

    NASA Astrophysics Data System (ADS)

    Shao, Guangri; Shang, Yu; Wang, Rongsheng

    In this paper, one-dimensional unsteady gas flow equations are formulated with Riemann variables as the functions of time and space to be solved. By using the 'de Haller' test and a simple pipe flow with a temperature discontinuity, the equations are solved by difference methods of first-order accuracy and second-order accuracy for non-homentropic cases. As compared with the commonly used characteristic method, the results show the above-mentioned formulation and difference methods have the advantages of consuming less computer time and being easier to reach higher order accuracy. The application to turbocharged internal combustion engines is also discussed in this paper.

  14. Bloch oscillations in a one-dimensional spinor gas.

    PubMed

    Gangardt, D M; Kamenev, A

    2009-02-20

    A force applied to a spin-flipped particle in a one-dimensional spinor gas may lead to Bloch oscillations of the particle's position and velocity. The existence of Bloch oscillations crucially depends on the viscous friction force exerted by the rest of the gas on the spin excitation. We evaluate the friction in terms of the quantum fluid parameters. In particular, we show that the friction is absent for integrable cases, such as an SU(2) symmetric gas of bosons or fermions. For small deviations from the exact integrability the friction is very weak, opening the possibility to observe Bloch oscillations.

  15. Quantum Simulations of One-Dimensional Nanostructures under Arbitrary Deformations

    NASA Astrophysics Data System (ADS)

    Koskinen, Pekka

    2016-09-01

    A powerful technique is introduced for simulating mechanical and electromechanical properties of one-dimensional nanostructures under arbitrary combinations of bending, twisting, and stretching. The technique is based on an unconventional control of periodic symmetry which eliminates artifacts due to deformation constraints and quantum finite-size effects and allows transparent electronic-structure analysis. Via density-functional tight-binding implementation, the technique demonstrates its utility by predicting nonlinear electromechanical properties in carbon nanotubes and abrupt behavior in the structural yielding of Au7 and Mo6 S6 nanowires. The technique drives simulations markedly closer to the realistic modeling of these slender nanostructures under experimental conditions.

  16. Numerical computations on one-dimensional inverse scattering problems

    NASA Technical Reports Server (NTRS)

    Dunn, M. H.; Hariharan, S. I.

    1983-01-01

    An approximate method to determine the index of refraction of a dielectric obstacle is presented. For simplicity one dimensional models of electromagnetic scattering are treated. The governing equations yield a second order boundary value problem, in which the index of refraction appears as a functional parameter. The availability of reflection coefficients yield two additional boundary conditions. The index of refraction by a k-th order spline which can be written as a linear combination of B-splines is approximated. For N distinct reflection coefficients, the resulting N boundary value problems yield a system of N nonlinear equations in N unknowns which are the coefficients of the B-splines.

  17. Programmers manual for a one-dimensional Lagrangian transport model

    USGS Publications Warehouse

    Schoellhamer, D.H.; Jobson, H.E.

    1986-01-01

    A one-dimensional Lagrangian transport model for simulating water-quality constituents such as temperature, dissolved oxygen , and suspended sediment in rivers is presented in this Programmers Manual. Lagrangian transport modeling techniques, the model 's subroutines, and the user-written decay-coefficient subroutine are discussed in detail. Appendices list the program codes. The Programmers Manual is intended for the model user who needs to modify code either to adapt the model to a particular need or to use reaction kinetics not provided with the model. (Author 's abstract)

  18. Coherent Backscattering of Light Off One-Dimensional Atomic Strings

    NASA Astrophysics Data System (ADS)

    Sørensen, H. L.; Béguin, J.-B.; Kluge, K. W.; Iakoupov, I.; Sørensen, A. S.; Müller, J. H.; Polzik, E. S.; Appel, J.

    2016-09-01

    We present the first experimental realization of coherent Bragg scattering off a one-dimensional system—two strings of atoms strongly coupled to a single photonic mode—realized by trapping atoms in the evanescent field of a tapered optical fiber, which also guides the probe light. We report nearly 12% power reflection from strings containing only about 1000 cesium atoms, an enhancement of 2 orders of magnitude compared to reflection from randomly positioned atoms. This result paves the road towards collective strong coupling in 1D atom-photon systems. Our approach also allows for a straightforward fiber connection between several distant 1D atomic crystals.

  19. Superconductivity in a one-dimensional correlated quantum system

    NASA Astrophysics Data System (ADS)

    Ding, Hanqin; Zhang, Jun

    2016-07-01

    We construct a one-dimensional (1D) theoretical model to clarify the occurrence of superconductivity. The weak-coupling (WC) theory allows a determination of the phase diagram. The constrained hopping induces additional two-body and three-body interactions. At half-filling, the three-body interaction is responsible for the triplet superconducting (TS) correlation. Away from half-filling, the two-body interaction works, favoring the singlet superconducting (SS) correlation. The results are expected to provide an insignificant insight into the superconductivity mechanism.

  20. Fourier's law for quasi-one-dimensional chaotic quantum systems

    NASA Astrophysics Data System (ADS)

    Seligman, Thomas H.; Weidenmüller, Hans A.

    2011-05-01

    We derive Fourier's law for a completely coherent quasi-one-dimensional chaotic quantum system coupled locally to two heat baths at different temperatures. We solve the master equation to first order in the temperature difference. We show that the heat conductance can be expressed as a thermodynamic equilibrium coefficient taken at some intermediate temperature. We use that expression to show that for temperatures large compared to the mean level spacing of the system, the heat conductance is inversely proportional to the level density and, thus, inversely proportional to the length of the system.

  1. Quantum quench in an atomic one-dimensional Ising chain.

    PubMed

    Meinert, F; Mark, M J; Kirilov, E; Lauber, K; Weinmann, P; Daley, A J; Nägerl, H-C

    2013-08-01

    We study nonequilibrium dynamics for an ensemble of tilted one-dimensional atomic Bose-Hubbard chains after a sudden quench to the vicinity of the transition point of the Ising paramagnetic to antiferromagnetic quantum phase transition. The quench results in coherent oscillations for the orientation of effective Ising spins, detected via oscillations in the number of doubly occupied lattice sites. We characterize the quench by varying the system parameters. We report significant modification of the tunneling rate induced by interactions and show clear evidence for collective effects in the oscillatory response. PMID:23952393

  2. One-dimensional hydrodynamic model generating a turbulent cascade.

    PubMed

    Matsumoto, Takeshi; Sakajo, Takashi

    2016-05-01

    As a minimal mathematical model generating cascade analogous to that of the Navier-Stokes turbulence in the inertial range, we propose a one-dimensional partial-differential-equation model that conserves the integral of the squared vorticity analog (enstrophy) in the inviscid case. With a large-scale random forcing and small viscosity, we find numerically that the model exhibits the enstrophy cascade, the broad energy spectrum with a sizable correction to the dimensional-analysis prediction, peculiar intermittency, and self-similarity in the dynamical system structure. PMID:27300972

  3. Dynamical Structure Factors of quasi-one-dimensional antiferromagnets

    NASA Astrophysics Data System (ADS)

    Hagemans, Rob; Caux, Jean-Sébastien; Maillet, Jean Michel

    2007-03-01

    For a long time it has been impossible to accurately calculate the dynamical structure factors (spin-spin correlators as a function of momentum and energy) of quasi-one-dimensional antiferromagnets. For integrable Heisenberg chains, the recently developed ABACUS method (a first-principles computational approach based on the Bethe Ansatz) now yields highly accurate (over 99% of the sum rule) results for the DSF for finite chains, allowing for a very precise description of neutron-scattering data over the full momentum and energy range. We show remarkable agreement between results obtained with ABACUS and experiment.

  4. One-dimensional parabolic-beam photonic crystal laser.

    PubMed

    Ahn, Byeong-Hyeon; Kang, Ju-Hyung; Kim, Myung-Ki; Song, Jung-Hwan; Min, Bumki; Kim, Ki-Soo; Lee, Yong-Hee

    2010-03-15

    We report one-dimensional (1-D) parabolic-beam photonic crystal (PhC) lasers in which the width of the PhC slab waveguide is parabolically tapered. A few high-Q resonant modes are confirmed in the vicinity of the tapered region where Gaussian-shaped photonic well is formed. These resonant modes originate from the dielectric PhC guided mode and overlap with the gain medium efficiently. It is also shown that the far-field radiation profile is closely associated with the symmetry of the structural perturbation.

  5. Lattice-induced resonances in one-dimensional bosonic systems.

    PubMed

    von Stecher, Javier; Gurarie, Victor; Radzihovsky, Leo; Rey, Ana Maria

    2011-06-10

    We study the resonant effects produced when a Feshbach dimer crosses a scattering continuum band of atoms in an optical lattice. We numerically obtain the exact spectrum of two particles in a one-dimensional lattice and develop an effective atom-dimer Hamiltonian that accurately captures resonant effects. The lattice-induced resonances lead to the formation of bound states simultaneously above and below the scattering continuum and significantly modify the curvature of the dimer dispersion relation. The nature of the atom-dimer coupling depends strongly on the parity of the dimer state leading to a novel coupling in the case of negative parity dimers. PMID:21770514

  6. Lattice-Induced Resonances in One-Dimensional Bosonic Systems

    NASA Astrophysics Data System (ADS)

    von Stecher, Javier; Gurarie, Victor; Radzihovsky, Leo; Rey, Ana Maria

    2011-06-01

    We study the resonant effects produced when a Feshbach dimer crosses a scattering continuum band of atoms in an optical lattice. We numerically obtain the exact spectrum of two particles in a one-dimensional lattice and develop an effective atom-dimer Hamiltonian that accurately captures resonant effects. The lattice-induced resonances lead to the formation of bound states simultaneously above and below the scattering continuum and significantly modify the curvature of the dimer dispersion relation. The nature of the atom-dimer coupling depends strongly on the parity of the dimer state leading to a novel coupling in the case of negative parity dimers.

  7. Numerical Simulations of One-dimensional Microstructure Dynamics

    SciTech Connect

    Berezovski, M.; Berezovski, A.; Engelbrecht, J.

    2010-05-21

    Results of numerical simulations of one-dimensional wave propagation in microstructured solids are presented and compared with the corresponding results of wave propagation in given layered media. A linear microstructure model based on Mindlin theory is adopted and represented in the framework of the internal variable theory. Fully coupled systems of equations for macro-motion and microstructure evolution are rewritten in the form of conservation laws. A modification of wave propagation algorithm is used for numerical calculations. It is shown how the initial microstructure model can be improved in order to match the results obtained by both approaches.

  8. Parallel solution of sparse one-dimensional dynamic programming problems

    NASA Technical Reports Server (NTRS)

    Nicol, David M.

    1989-01-01

    Parallel computation offers the potential for quickly solving large computational problems. However, it is often a non-trivial task to effectively use parallel computers. Solution methods must sometimes be reformulated to exploit parallelism; the reformulations are often more complex than their slower serial counterparts. We illustrate these points by studying the parallelization of sparse one-dimensional dynamic programming problems, those which do not obviously admit substantial parallelization. We propose a new method for parallelizing such problems, develop analytic models which help us to identify problems which parallelize well, and compare the performance of our algorithm with existing algorithms on a multiprocessor.

  9. Spin transport in a one-dimensional anisotropic Heisenberg model.

    PubMed

    Znidarič, Marko

    2011-06-01

    We analytically and numerically study spin transport in a one-dimensional Heisenberg model in linear-response regime at infinite temperature. It is shown that as the anisotropy parameter Δ is varied spin transport changes from ballistic for Δ<1 to anomalous at the isotropic point Δ=1, to diffusive for finite Δ>1, ending up as a perfect isolator in the Ising limit of infinite Δ. Using perturbation theory for large Δ a quantitative prediction is made for the dependence of diffusion constant on Δ. PMID:21702588

  10. Accuracy of differential sensitivity for one-dimensional shock problems

    SciTech Connect

    Henninger, R.J.; Maudlin, P.J.; Rightley, M.L.

    1998-07-01

    The technique called Differential Sensitivity has been applied to the system of Eulerian continuum mechanics equations solved by a hydrocode. Differential Sensitivity uses forward and adjoint techniques to obtain output response sensitivity to input parameters. Previous papers have described application of the technique to two-dimensional, multi-component problems. Inaccuracies in the adjoint solutions have prompted us to examine our numerical techniques in more detail. Here we examine one-dimensional, one material shock problems. Solution accuracy is assessed by comparison to sensitivities obtained by automatic differentiation and a code-based adjoint differentiation technique. {copyright} {ital 1998 American Institute of Physics.}

  11. Computer model of one-dimensional equilibrium controlled sorption processes

    USGS Publications Warehouse

    Grove, D.B.; Stollenwerk, K.G.

    1984-01-01

    A numerical solution to the one-dimensional solute-transport equation with equilibrium-controlled sorption and a first-order irreversible-rate reaction is presented. The computer code is written in FORTRAN language, with a variety of options for input and output for user ease. Sorption reactions include Langmuir, Freundlich, and ion-exchange, with or without equal valance. General equations describing transport and reaction processes are solved by finite-difference methods, with nonlinearities accounted for by iteration. Complete documentation of the code, with examples, is included. (USGS)

  12. Heterobimetallic lanthanide-gold coordination polymers: structure and emissive properties of isomorphous [(n)Bu4N]2[Ln(NO3)4Au(CN)2] 1-D chains.

    PubMed

    Roberts, Ryan J; Li, Xiaobo; Lacey, Tye F; Pan, Zhong; Patterson, Howard H; Leznoff, Daniel B

    2012-06-21

    A new series of lanthanide-containing dicyanoaurate coordination polymers, [(n)Bu(4)N](2)[Ln(NO(3))(4)Au(CN)(2)] (Ln = Nd, Eu, Gd or Tb), were synthesized and structurally characterized. They form an isomorphous series, crystallizing in the space group I2(1)2(1)2(1). The structure is composed of a one dimensional zigzag of Ln-N-C-Au-C-N-Ln chains with no intra- or inter-chain aurophilic interactions. The series is related to and can be described as a reduced dimensionality analogue of the previously studied Ln[Au(CN)(2)](3)·3H(2)O. Unlike the Ln[Au(CN)(2)](3)·3H(2)O series, there is no efficient energy transfer between dicyanoaurate and the lanthanide metal centers in the complexes and they essentially act as two separate emissive chromophores.

  13. Syntheses, structures, and properties of Co(II)/Zn(II) mixed-ligand coordination polymers based on 4-[(3,5-dinitrobenzoyl)amino]benzoic acid and 1,4-bis(1-imidazolyl) benzene

    NASA Astrophysics Data System (ADS)

    Yin, Fei; Chen, Jing; Liang, Yongfeng; Zou, Yang; Yinzhi, Jiang; Xie, Jingli

    2015-05-01

    Two coordination polymers [Co(dnbab)2(bimb)](H2O)4 (1) and [Zn(dnbab)2(bimb)](H2O)5 (2) (Hdnbab=4-[(3,5-dinitrobenzoyl)amino]benzoic acid, bimb=1,4-bis(1-imidazolyl) benzene) have been solvothermally synthesized. Their structures have been determined by single-crystal X-ray diffraction analyses and further characterized by powder X-ray diffraction (PXRD) and thermogravimetric (TG) analyses. Complexes 1 and 2 are isostructures and each displays an one-dimensional (1D) zigzag chain, which further forms a 3D supramolecular architecture with 1-D channels via inter-chain π-π interactions and hydrogen bonds. Moreover, the magnetic properties of 1 and fluorescent properties of 2 have been investigated.

  14. Isostructural 1D coordination polymers of Zn(II), Cd(II) and Cu(II) with phenylpropynoic acid and DABCO as organic linkers

    NASA Astrophysics Data System (ADS)

    Saravanakumar, Rajendran; Varghese, Babu; Sankararaman, Sethuraman

    2014-11-01

    Using phenylpropynoic acid (PPA) and 1,4-diazabicyclo[2.2.2]octane (DABCO) as organic spacers, isostructural coordination polymers of Zn(II), Cd(II) and Cu(II) were synthesized by solvothermal method and structurally characterized using single crystal XRD, powder XRD, 13C CP-MAS NMR spectroscopy. Single crystal XRD data revealed four PPA units coordinating with two metal ions forming a paddle wheel secondary building unit (SBU). The paddle wheel units are connected through coordination of DABCO nitrogen to the metal centers from the axial positions leading to the formation of the 1D coordination polymers along the c axis. Intermolecular π stacking and Csbnd H…π interactions between the adjacent polymer chains convert the 1D coordination polymer into an interesting 3D network with the Csbnd H…π bonds running along the crystallographic a and b axes. Thermal and nitrogen adsorption studies of these coordination polymers are reported.

  15. Silicon-based one-dimensional photonic crystal microcavity

    NASA Astrophysics Data System (ADS)

    Chen, San; Qian, Bo; Chen, Kunji; Xu, Jun; Li, Wei; Huang, Xinfan

    2004-12-01

    The layer-by-layer method is employed to prepare a-SiNx:H microcavity structure in a Plasma Enhanced Chemical Vapor Deposition (PECVD) chamber. Measurements of transmittance spectrum of as-grown samples show that the transmittance resonant peak of a cavity mode at 750 nm is introduced into the band gap of one-dimensional photonic crystal distributed Bragg reflectors based on hydrogenated amorphous silicon nitride. Also the PL measurements of a-SiNx:H microcavities are performed. There is a well agreement between the transmittance spectra and the PL of microcavity samples. In order to clarify the microcavity effects on the bulk a-SiNx:H, the PL of a λ/2-thick layer of bulk a-SiNx:H obtained under the same experimental conditions is presented. By comparison, a dramatic narrowing of emission linewidth and enhancement of PL intensity is observed. The wide emission band with 208 nm is strongly narrowed to 17 nm, and the resonant enhancement of the peak PL intensity is about two orders of magnitude with respect to the emission of the λ/2-thick layer of bulk a-SiNx:H. A linewidth of Δλ=17 nm and a quality factor of Q=50 are achieved in our one-dimensional a-SiNx photonic crystal microcavities.

  16. Transmission resonances anomaly in one-dimensional disordered quantum systems

    NASA Astrophysics Data System (ADS)

    Eisenbach, A.; Bliokh, Y.; Freilkher, V.; Kaveh, M.; Berkovits, R.

    2016-07-01

    Connections between the electronic eigenstates and conductivity of one-dimensional (1D) disordered systems is studied in the framework of the tight-binding model. We show that for weak disorder only part of the states exhibit resonant transmission and contribute to the conductivity. The rest of the eigenvalues are not associated with peaks in transmission and the amplitudes of their wave functions do not exhibit a significant maxima within the sample. Moreover, unlike ordinary states, the lifetimes of these "hidden" modes either remain constant or even decrease (depending on the coupling with the leads) as the disorder becomes stronger. In a wide range of the disorder strengths, the averaged ratio of the number of transmission peaks to the total number of the eigenstates is independent of the degree of disorder and is close to the value √{2 /5 }, which was derived analytically in the weak-scattering approximation. These results are in perfect analogy to the spectral and transport properties of light in one-dimensional randomly inhomogeneous media [Y. P. Bliokh et al., New J. Phys. 17, 113009 (2015), 10.1088/1367-2630/17/11/113009], which provides strong grounds to believe that the existence of hidden, nonconducting modes is a general phenomenon inherent to 1D open random systems, and their fraction of the total density of states is the same for quantum particles and classical waves.

  17. Dislocation-mediated melting of one-dimensional Rydberg crystals

    SciTech Connect

    Sela, Eran; Garst, Markus; Punk, Matthias

    2011-08-15

    We consider cold Rydberg atoms in a one-dimensional optical lattice in the Mott regime with a single atom per site at zero temperature. An external laser drive with Rabi frequency {Omega} and laser detuning {Delta} creates Rydberg excitations whose dynamics is governed by an effective spin-chain model with (quasi) long-range interactions. This system possesses intrinsically a large degree of frustration resulting in a ground-state phase diagram in the ({Delta},{Omega}) plane with a rich topology. As a function of {Delta}, the Rydberg blockade effect gives rise to a series of crystalline phases commensurate with the optical lattice that form a so-called devil's staircase. The Rabi frequency {Omega}, on the other hand, creates quantum fluctuations that eventually lead to a quantum melting of the crystalline states. Upon increasing {Omega}, we find that generically a commensurate-incommensurate transition to a floating Rydberg crystal that supports gapless phonon excitations occurs first. For even larger {Omega}, dislocations within the floating Rydberg crystal start to proliferate and a second, Kosterlitz-Thouless-Nelson-Halperin-Young dislocation-mediated melting transition finally destroys the crystalline arrangement of Rydberg excitations. This latter melting transition is generic for one-dimensional Rydberg crystals and persists even in the absence of an optical lattice. The floating phase and the concomitant transitions can, in principle, be detected by Bragg scattering of light.

  18. Lattice Boltzmann method for one-dimensional vector radiative transfer.

    PubMed

    Zhang, Yong; Yi, Hongliang; Tan, Heping

    2016-02-01

    A one-dimensional vector radiative transfer (VRT) model based on lattice Boltzmann method (LBM) that considers polarization using four Stokes parameters is developed. The angular space is discretized by the discrete-ordinates approach, and the spatial discretization is conducted by LBM. LBM has such attractive properties as simple calculation procedure, straightforward and efficient handing of boundary conditions, and capability of stable and accurate simulation. To validate the performance of LBM for vector radiative transfer, four various test problems are examined. The first case investigates the non-scattering thermal-emitting atmosphere with no external collimated solar. For the other three cases, the external collimated solar and three different scattering types are considered. Particularly, the LBM is extended to solve VRT in the atmospheric aerosol system where the scattering function contains singularities and the hemisphere space distributions for the Stokes vector are presented and discussed. The accuracy and computational efficiency of this algorithm are discussed. Numerical results show that the LBM is accurate, flexible and effective to solve one-dimensional polarized radiative transfer problems. PMID:26906779

  19. Generating arbitrary one-dimensional dose profiles using rotational therapy

    NASA Astrophysics Data System (ADS)

    Zhuang, Tingliang; Wu, Qiuwen

    2010-10-01

    Conformal radiation therapy can be delivered using several methods: intensity-modulated radiotherapy (IMRT) at fixed gantry angles, through the continuous gantry rotation of linac (rotational arc therapy), or by a dedicated treatment unit such as tomotherapy. The recently developed volumetric modulated arc therapy (VMAT), a form of rotational arc therapy, has attracted lots of attention from investigators to explore its capability of generating highly conformal dose to the target. The main advanced features of VMAT are the variable dose rate and gantry rotation speed. In this paper, we present a theoretical framework of generating arbitrary one-dimensional dose profiles using rotational arc therapy to further explore the new degree of freedom of the VMAT technique. This framework was applied to design a novel technique for total body irradiation (TBI) treatment, where the desired dose distribution can be simplified by a one-dimensional profile. The technique was validated using simulations and experimental measurements. The preliminary results demonstrated that the new TBI technique using either dynamic MLC only, variable dose rate only, or a combination of dynamic MLC and variable dose rate can achieve arbitrary dose distribution in one dimension, such as uniform dose to target and lower dose to critical organ. This technique does not require the use of customized compensators, nor large treatment rooms as in the conventional extended SSD technique.

  20. One-Dimensional Electrical Contact to Molybdenum Disulfide

    NASA Astrophysics Data System (ADS)

    Yang, Zheng; Ra, Changho; Ahmed, Faisal; Lee, Daeyeong; Choi, Minsup; Liu, Xiaochi; Qu, Deshun; Yoo, Won Jong; Nano Device Processing Lab Team

    Molybdenum disulfide (MoS2) is one of the promising two-dimensional materials for future application in nano electronics, which has high carrier mobility, very good stability under atmosphere, proper band gap, etc. However, its application to electronic switching devices is hindered by Fermi level pinning at metal-MoS2 interfaces. Here, we experimentally demonstrate one-dimensional electrical contact to MoS2 formed via controllable plasma etching. We fabricated Al/MoS2 FET (n-type), Mo/MoS2 FET (n-type), and Pd/MoS2 FET (ambipolar). For Mo/MoS2 FET (n-type), on/off current ratio is around 108 and mobility is around 104 cm2/(Vs). By contrast, for Pd/MoS2 FET (ambipolar), on/off current ratio is around 108, hole mobility is ranged from 350 to 650 cm2/(Vs), and the mean free path of holes at 9K is around 23 nm. All the measured mobilities are evaluated by using two-terminal field-effect configuration. We can also achieve complementary logic gates with intrinsic MoS2/metal one-dimensional electrical contact.

  1. One dimensional wavefront sensor development for tomographic flow measurements

    SciTech Connect

    Neal, D.; Pierson, R.; Chen, E.

    1995-08-01

    Optical diagnostics are extremely useful in fluid mechanics because they generally have high inherent bandwidth, and are non-intrusive. However, since optical probe measurements inherently integrate all information along the optical path, it is often difficult to isolate out-of-plane components in 3-dimensional flow events. It is also hard to make independent measurements of internal flow structure. Using an arrangement of one-dimensional wavefront sensors, we have developed a system that uses tomographic reconstruction to make two-dimensional measurements in an arbitrary flow. These measurements provide complete information in a plane normal to the flow. We have applied this system to the subsonic free jet because of the wide range of flow scales available. These measurements rely on the development of a series of one-dimensional wavefront sensors that are used to measure line-integral density variations in the flow of interest. These sensors have been constructed using linear CCD cameras and binary optics lenslet arrays. In designing these arrays, we have considered the coherent coupling between adjacent lenses and have made comparisons between theory and experimental noise measurements. The paper will present examples of the wavefront sensor development, line-integral measurements as a function of various experimental parameters, and sample tomographic reconstructions.

  2. Parafermion braid statistics in quasi-one-dimensional networks

    NASA Astrophysics Data System (ADS)

    Clarke, David; Alicea, Jason; Shtengel, Kirill

    2012-02-01

    One dimensional systems with Majorana zero modes at phase boundaries may be thought of as physical realizations of a discrete quantum wire model first put forth by Kitaev [1]. Proposed methods for braiding such Majorana fermions in one-dimensional wire networks [2] have greatly expanded the set of plausible avenues toward topological quantum computation. Recently, a generalization of the Kitaev model to parafermion modes has been developed.[3] Here, we describe the transport of such parafermion modes along the chain by the adiabatic transformation of the Hamiltonian, analogous to the transport of Majorana fermion modes. We determine the (braid) transformations of the ground state sector allowed by the adiabatic exchange of the parafermion modes in wire networks. We show that, as with Majorana fermions, none of the parafermion braid sets are universal for quantum computation. Certain parafermion chain models, unlike Majorana fermion systems, become universal with the addition of measurement operations. We discuss possible physical realizations of the parafermion models. [4pt] [1] J Alicea et al., Nature Physics 7, 412-417 (2011) [0pt] [2] A. Kitaev, arXiv:cond-mat/0010440v2 [0pt] [3] P. Fendley, unpublished

  3. Two new luminescent Zn(II) coordination polymers with different interpenetrated motifs

    NASA Astrophysics Data System (ADS)

    Song, Changying; Liu, Qifeng; Liu, Wei; Cao, Ziqing; Ren, Yuanyuan; Zhou, Qichao; Zhang, Li

    2015-11-01

    Solvothermal reactions of Zn(NO3)2, H2tdc and bib in the presence of different solvents (DMF = N,N'- dimethylformamide or DMA = N,N'- dimethylacetamide) have given rise to two new coordination polymers, namely [Zn2(tdc)2(bib)2]n·2n(H2O) (1) and [Zn(tdc)(bib)0.5(H2O)]n (2) (H2tdc = 2,5-thiophenedicarboxylic acid, bib = 1, 4-bis(imidazolyl)butane). The structures were determined by single crystal X-ray diffraction and characterized by elemental analysis, powder X-ray diffraction and infrared spectroscopy. Compound 1 exhibits a 4-fold interpenetrated dia topological network, and compound 2 features a 8-fold interpenetrated ths topological network. In addition, thermal stabilities and solid state luminescent properties of these two compounds were also investigated.

  4. A Highly Water-Tolerant Magnesium(II) Coordination Polymer Derived from a Flexible Layered Structure.

    PubMed

    Ochi, Rika; Noro, Shin-Ichiro; Kamiya, Yuichi; Kubo, Kazuya; Nakamura, Takayoshi

    2016-07-25

    A two-dimensional (2D) layered Mg(II) coordination polymer (CP) with a high tolerance for H2 O was designed, synthesised, and crystallographically characterised. The synthesis was achieved by the introduction of a flexible 2D layered structure composed of Mg(II) ions and isonicotinate N-oxide ligands. Owing to its high H2 O tolerance, the obtained 2D layered structure has the flexibility to repeatedly adsorb a large amount of H2 O associated with interlayer expansion and enable the removal of H2 O from a H2 O/2-propanol mixed vapour. These results indicate that the CP could be an excellent dehydrating agent. PMID:27373696

  5. Coordination polymer core/shell structures: Preparation and up/down-conversion luminescence.

    PubMed

    Li, Bingmei; Xu, Hualan; Xiao, Chen; Shuai, Min; Chen, Weimin; Zhong, Shengliang

    2016-10-01

    Coordination polymer (CP) core-shell nanoparticles with Gd-based CP (GdCP) as core and Eu-based CP (EuCP) as shell have been successfully prepared. Allantoin was employed as the organic building block without the assistance of any template. The composition, size and structure of the core-shell nanospheres were well characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive X-ray (EDX), powder X-ray diffraction (PXRD), Fourier transform infrared spectroscopy (FT-IR), thermo-gravimetric analysis (TG). Results show that the resultant cores are uniform nanospheres with diameter of approximately 45nm, while the diameters of the core-shell nanospheres are increased to approximately 60nm. The core-shell products show enhanced luminescence efficiency than the core under 980nm laser excitation and decreased down-conversion luminescence when excited at 394nm.

  6. Catalytic glucose isomerization by porous coordination polymers with open metal sites.

    PubMed

    Akiyama, George; Matsuda, Ryotaro; Sato, Hiroshi; Kitagawa, Susumu

    2014-10-01

    Highly efficient catalytic isomerization reactions from glucose to fructose in aqueous media using porous coordination polymers (PCPs) or metal-organic frameworks (MOFs) is reported for the first time. The catalytic activity of PCPs functionalized with -NH2, -(CH3)2, -NO2, and -SO3H groups on the pore surface is systematically tested. The catalytic activity can be tuned by the acidity of open metal sites (OMSs) by modifying the organic linkers with the functional groups. As a result, it is demonstrated that MIL-101 functionalized with -SO3H not only shows high conversion of glucose but also selectively produces fructose. Further, catalytic one-pot conversion of amylose to fructose is achieved, thanks to the high stability of the framework in an acidic solution. These results show that MOF/PCP compounds having OMSs are promising materials for various useful heterogeneous catalytic reactions, in particular in the biomass field. PMID:25080129

  7. Pressure Sensor via Optical Detection Based on a 1D Spin Transition Coordination Polymer

    PubMed Central

    Jureschi, Cătălin M.; Linares, Jorge; Rotaru, Aurelian; Ritti, Marie Hélène; Parlier, Michel; Dîrtu, Marinela M.; Wolff, Mariusz; Garcia, Yann

    2015-01-01

    We have investigated the suitability of using the 1D spin crossover coordination polymer [Fe(4-(2′-hydroxyethyl)-1,2,4-triazole)3]I2·H2O, known to crossover around room temperature, as a pressure sensor via optical detection using various contact pressures up to 250 MPa. A dramatic persistent colour change is observed. The experimental data, obtained by calorimetric and Mössbauer measurements, have been used for a theoretical analysis, in the framework of the Ising-like model, of the thermal and pressure induced spin state switching. The pressure (P)-temperature (T) phase diagram calculated for this compound has been used to obtain the P-T bistability region. PMID:25621610

  8. A systematic study on the stability of porous coordination polymers against ammonia.

    PubMed

    Kajiwara, Takashi; Higuchi, Masakazu; Watanabe, Daisuke; Higashimura, Hideyuki; Yamada, Teppei; Kitagawa, Hiroshi

    2014-11-17

    To establish a strategy for designing porous coordination polymers (PCPs) for ammonia capture, the first systematic study on the stability of PCPs against ammonia was conducted. Various types of PCPs were investigated by comparing their powder XRD patterns before and after treatment with ammonia. Among the PCPs tested, ZIF-8, MIL-53(Al), Al-BTB, MOF-76(M) (M=Y or Yb), MIL-101(Cr), and MOF-74(Mg) were stable up to 350 °C under an ammonia atmosphere at ambient pressure. The origin of the stability of PCPs is discussed from the viewpoint of their components, metal cations, and organic linkers. Furthermore, adsorption isotherm measurements show that the adsorptive behavior of PCPs is independent of their stability.

  9. Luminescent lanthanide coordination polymers synthesized via in-situ hydrolysis of dimethyl-3,4-furandicarboxylate

    NASA Astrophysics Data System (ADS)

    Greig, Natalie E.; Einkauf, Jeffrey D.; Clark, Jessica M.; Corcoran, Eric J.; Karram, Joseph P.; Kent, Charles A.; Eugene, Vadine E.; Chan, Benny C.; de Lill, Daniel T.

    2015-05-01

    Dimethyl-3,4-furandicarboxylate undergoes hydrolysis under hydrothermal conditions with lanthanide (Ln) ions to form two-dimensional coordination polymers, [Ln(C6H2O5)(C6H3O5)(H2O)]n (Ln=Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu). The resulting materials exhibit luminescent properties with quantum yields and lifetimes for the Eu(III) and Tb(III) compounds of 1.1±0.3% and 0.387±0.0001 ms, and 3.3±0.8% and 0.769±0.006 ms, respectively. Energy values for the singlet and triplet states were determined for dimethyl-3,4-furandicarboxylate and 3,4-furandicarboxylic acid. Excited state dynamics and structural features are examined to explicate the reported quantum yields. A series of other FDC structures is briefly presented.

  10. Coordination polymer core/shell structures: Preparation and up/down-conversion luminescence.

    PubMed

    Li, Bingmei; Xu, Hualan; Xiao, Chen; Shuai, Min; Chen, Weimin; Zhong, Shengliang

    2016-10-01

    Coordination polymer (CP) core-shell nanoparticles with Gd-based CP (GdCP) as core and Eu-based CP (EuCP) as shell have been successfully prepared. Allantoin was employed as the organic building block without the assistance of any template. The composition, size and structure of the core-shell nanospheres were well characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive X-ray (EDX), powder X-ray diffraction (PXRD), Fourier transform infrared spectroscopy (FT-IR), thermo-gravimetric analysis (TG). Results show that the resultant cores are uniform nanospheres with diameter of approximately 45nm, while the diameters of the core-shell nanospheres are increased to approximately 60nm. The core-shell products show enhanced luminescence efficiency than the core under 980nm laser excitation and decreased down-conversion luminescence when excited at 394nm. PMID:27344485

  11. Flexible Two-Dimensional Square-Grid Coordination Polymers: Structures and Functions

    PubMed Central

    Kajiro, Hiroshi; Kondo, Atsushi; Kaneko, Katsumi; Kanoh, Hirofumi

    2010-01-01

    Coordination polymers (CPs) or metal-organic frameworks (MOFs) have attracted considerable attention because of the tunable diversity of structures and functions. A 4,4′-bipyridine molecule, which is a simple, linear, exobidentate, and rigid ligand molecule, can construct two-dimensional (2D) square grid type CPs. Only the 2D-CPs with appropriate metal cations and counter anions exhibit flexibility and adsorb gas with a gate mechanism and these 2D-CPs are called elastic layer-structured metal-organic frameworks (ELMs). Such a unique property can make it possible to overcome the dilemma of strong adsorption and easy desorption, which is one of the ideal properties for practical adsorbents. PMID:21152303

  12. Trapping of a spatial transient state during the framework transformation of a porous coordination polymer.

    PubMed

    Kondo, Mio; Furukawa, Shuhei; Hirai, Kenji; Tsuruoka, Takaaki; Reboul, Julien; Uehara, Hiromitsu; Diring, Stéphane; Sakata, Yoko; Sakata, Osami; Kitagawa, Susumu

    2014-04-01

    Structural transformability accompanied by molecular accommodation is a distinguished feature of porous coordination polymers (PCPs) among porous materials. Conventional X-ray crystallography allows for the determination of each structural phase emerged during transformation. However, the propagation mechanism of transformation through an entire crystal still remains in question. Here we elucidate the structural nature of the spatial transient state, in which two different but correlated framework structures, an original phase and a deformed phase, simultaneously exist in one crystal. The deformed phase is distinctively generated only at the crystal surface region by introducing large guest molecules, while the remaining part of crystal containing small molecules maintains the original phase. By means of grazing incidence diffraction techniques we determine that the framework is sheared with sharing one edge of the original primitive cubic structure, leading to the formation of crystal domains with four mirror image relationships.

  13. Structural optimization of interpenetrated pillared-layer coordination polymers for ethylene/ethane separation.

    PubMed

    Kishida, Keisuke; Horike, Satoshi; Watanabe, Yoshihiro; Tahara, Mina; Inubushi, Yasutaka; Kitagawa, Susumu

    2014-06-01

    With the goal of achieving effective ethylene/ethane separation, we evaluated the gas sorption properties of four pillared-layer-type porous coordination polymers with double interpenetration, [Zn2(tp)2(bpy)]n (1), [Zn2(fm)2(bpe)]n (2), [Zn2(fm)2(bpa)]n (3), and [Zn2(fm)2(bpy)]n (4) (tp = terephthalate, bpy = 4,4'-bipyridyl, fm = fumarate, bpe = 1,2-di(4-pyridyl)ethylene and bpa = 1,2-di(4-pyridyl)ethane). It was found that 4, which contains the narrowest pores of all of these compounds, exhibited ethylene-selective sorption profiles. The ethylene selectivity of 4 was estimated to be 4.6 at 298 K based on breakthrough experiments using ethylene/ethane gas mixtures. In addition, 4 exhibited a good regeneration ability compared with a conventional porous material.

  14. Pressure-induced amorphization of a dense coordination polymer and its impact on proton conductivity

    SciTech Connect

    Umeyama, Daiki; Hagi, Keisuke; Ogiwara, Naoki; Horike, Satoshi E-mail: kitagawa@icems.kyoto-u.ac.jp; Tassel, Cedric; Kageyama, Hiroshi; Higo, Yuji; Kitagawa, Susumu E-mail: kitagawa@icems.kyoto-u.ac.jp

    2014-12-01

    The proton conductivity of a dense coordination polymer (CP) was investigated under high-pressure conditions. Impedance measurements under high pressures revealed that the proton conductivity of the CP decreased more than 1000-fold at pressures of 3–7 GPa and that the activation energy for proton conduction almost doubled compared with that at ambient pressure. A synchrotron X-ray study under high pressure identified the amorphization process of the CP during compression, which rationally explains the decrease in conductivity and increase in activation energy. This phenomenon is categorized as reversible pressure-induced amorphization of a dense CP and is regarded as a demonstration of the coupling of the mechanical and electrical properties of a CP.

  15. Synthesis, crystal structure and photoluminescent properties of four lanthanide 5-nitroisophthalate coordination polymers

    SciTech Connect

    Huang Yan; Yan Bing; Shao Min

    2009-04-15

    Four new lanthanide coordination polymers, [Y(Hnip)(nip)(H{sub 2}O)].H{sub 2}O (1), [Ln(Hnip)(nip)(H{sub 2}O){sub 2}].2H{sub 2}O [Ln=Eu(2), Tb(3)] and [Y(nip){sub 2}].(H{sub 2}4,4'-bpy){sub 0.5} (4) [5-nip=5-nitroisophthalate, 4,4'-bpy=4,4'-bipyridine], have been hydrothermally synthesized and structurally characterized. Compound 1 features novel lanthanide-carboxylate groups chains composed of three samehanded helical strands intersecting each other through hinged lanthanide atoms, and these chains are cross-linked by phenylene moieties of carboxylate ligands into a 2D layer structure. Compounds 2 and 3 are isomorphous, and contain 1D catenanelike Ln-O-C-O-Ln chains, which are interconnected by phenylene moieties into 2D layer structures. Compound 4, however, displays a 3D architecture sustained by strong hydrogen bonding interactions between the protonated 4,4'-bpy and the carboxyl oxygen atom from [Y{sub 2}(nip){sub 4}]{sup 2-} with 2D layer structure, and 4,4'-bpy as the guest molecules exist in bilayer channel. The studies for the thermal stabilities of the four compounds show that compound 4 is more stable than other compounds. Compound 2 emits characteristic red luminescence of Eu{sup 3+} ions at room temperature, and its luminescent lifetime and quantum efficiency has been determined. - Graphical abstract: Four lanthanide 5-nitroisophthalate coordination polymers have been hydrothermally prepared and resent different structures and thermal stabilities and photoluminescence properties.

  16. Electrical conductivity and luminescence properties of two silver(I) coordination polymers with heterocyclic nitrogen ligands

    SciTech Connect

    Rana, Abhinandan; Kumar Jana, Swapan; Pal, Tanusri; Puschmann, Horst; Zangrando, Ennio; Dalai, Sudipta

    2014-08-15

    The synthesis and X-ray structural characterization of two novel silver(I) coordination polymers, [Ag(NO{sub 3})(quin)]{sub n} (1) and [Ag{sub 8}(HL){sub 2}(H{sub 2}O){sub 4}(mpyz)]·3H{sub 2}O (2) are reported, where quin=5,6,7,8-tetrahydroquinoxaline, H{sub 6}L=cyclohexane-1,2,3,4,5,6-hexacarboxylic acid and mpyz=2-methyl pyrazine. The single crystal diffraction analyses showed that complex 1 is a 2D layered structure, while 2 presents a 3D polymeric architecture. In complex 2 the network is stabilized by argentophilic interactions and hydrogen bonding. Electrical conductivity of order 3×10{sup −4} Scm{sup −1} (1) and 1.6×10{sup −4} Scm{sup −1} (2) is measured on thin film specimen at room temperature. The photoluminescence and thermal properties of the complexes have also been studied. - Graphical abstract: Two new 1D and 3D coordination polymers of Ag(I) have been synthesized and characterized by X-ray analysis. The electrical, luminescence and thermal properties have been studied. - Highlights: • 1 is 2D layered while 2 present a 3D polymeric architecture. • The network in 2 is stabilized by argentophilic interactions and hydrogen bonding. • Electrical conductivity measurement is quite interesting. • Argentophilic interaction and intra-ligand π{sup ⁎}–π CT explains emission behavior of 2.

  17. Lanthanide Coordination Polymer Nanoparticles as an Excellent Artificial Peroxidase for Hydrogen Peroxide Detection.

    PubMed

    Zeng, Hui-Hui; Qiu, Wei-Bin; Zhang, Li; Liang, Ru-Ping; Qiu, Jian-Ding

    2016-06-21

    Lanthanide coordination polymer nanoparticles (Ln-CPNs) have been recently demonstrated as excellent platforms for biomolecule detection. In this work, we synthesized novel cerium coordination polymer nanoparticles ATP-Ce-Tris CPNs in a simple and quick way using ATP molecules as the biocompatible ligands to Ce(3+) ions in tris(hydroxymethyl)aminomethane hydrochloric (Tris-HCl) solution. In view of the excellent free radical scavenging property of cerium compounds, which is ascribed to the mixed valence state (Ce(3+), Ce(4+)) and the reversible switch from Ce(3+) to Ce(4+), the synthesized ATP-Ce-Tris CPNs was used as artificial peroxidase to selectively and sensitively detect H2O2. The sensing mechanism depends on the oxidation of the fluorescent ATP-Ce(III)-Tris CPNs to nonfluorescent ATP-Ce(IV)-Tris CPNs by H2O2. Compared with those inorganic cerium oxide sensors, this kind of fluoresence ATP-Ce-Tris CPNs sensor needs no additional organic redox dye, such as ABTS (2,20-azino-bis(3-ethylbenzthiazoline-6-sulfonic acid), TMB (3,3,5,5-tetramethylbenzidine), or fluorescein as signal molecules. Moreover, such ATP-Ce-Tris CPNs sensor exhibited a more sensitive response to H2O2 with a detection limit down to 0.6 nM, which is 2 orders of magnitude lower than those of cerium oxide sensors. This sensing platform was further extended to the detection of glucose in combination with the specific catalytic effect of glucose oxidase (GOx) for the oxidation of glucose and formation of H2O2. PMID:27220993

  18. A ladder coordination polymer based on Ca(2+) and (4,5-dicyano-1,2-phenylene)bis(phosphonic acid): crystal structure and solution-state NMR study.

    PubMed

    Venkatramaiah, Nutalapati; Mendes, Ricardo F; Silva, Artur M S; Tomé, João P C; Almeida Paz, Filipe A

    2016-09-01

    The preparation of coordination polymers (CPs) based on either transition metal centres or rare-earth cations has grown considerably in recent decades. The different coordination chemistry of these metals allied to the use of a large variety of organic linkers has led to an amazing structural diversity. Most of these compounds are based on carboxylic acids or nitrogen-containing ligands. More recently, a wide range of molecules containing phosphonic acid groups have been reported. For the particular case of Ca(2+)-based CPs, some interesting functional materials have been reported. A novel one-dimensional Ca(2+)-based coordination polymer with a new organic linker, namely poly[[diaqua[μ4-(4,5-dicyano-1,2-phenylene)bis(phosphonato)][μ3-(4,5-dicyano-1,2-phenylene)bis(phosphonato)]dicalcium(II)] tetrahydrate], {[Ca2(C8H4N2O6P2)2(H2O)2]·4H2O}n, has been prepared at ambient temperature. The crystal structure features one-dimensional ladder-like ∞(1)[Ca2(H2cpp)2(H2O)2] polymers [H2cpp is (4,5-dicyano-1,2-phenylene)bis(phosphonate)], which are created by two distinct coordination modes of the anionic H2cpp(2-) cyanophosphonate organic linkers: while one molecule is only bound to Ca(2+) cations via the phosphonate groups, the other establishes an extra single connection via a cyano group. Ladders close pack with water molecules through an extensive network of strong and highly directional O-H...O and O-H...N hydrogen bonds; the observed donor-acceptor distances range from 2.499 (5) to 3.004 (6) Å and the interaction angles were found in the range 135-178°. One water molecule was found to be disordered over three distinct crystallographic positions. A detailed solution-state NMR study of the organic linker is also provided. PMID:27585932

  19. A ladder coordination polymer based on Ca(2+) and (4,5-dicyano-1,2-phenylene)bis(phosphonic acid): crystal structure and solution-state NMR study.

    PubMed

    Venkatramaiah, Nutalapati; Mendes, Ricardo F; Silva, Artur M S; Tomé, João P C; Almeida Paz, Filipe A

    2016-09-01

    The preparation of coordination polymers (CPs) based on either transition metal centres or rare-earth cations has grown considerably in recent decades. The different coordination chemistry of these metals allied to the use of a large variety of organic linkers has led to an amazing structural diversity. Most of these compounds are based on carboxylic acids or nitrogen-containing ligands. More recently, a wide range of molecules containing phosphonic acid groups have been reported. For the particular case of Ca(2+)-based CPs, some interesting functional materials have been reported. A novel one-dimensional Ca(2+)-based coordination polymer with a new organic linker, namely poly[[diaqua[μ4-(4,5-dicyano-1,2-phenylene)bis(phosphonato)][μ3-(4,5-dicyano-1,2-phenylene)bis(phosphonato)]dicalcium(II)] tetrahydrate], {[Ca2(C8H4N2O6P2)2(H2O)2]·4H2O}n, has been prepared at ambient temperature. The crystal structure features one-dimensional ladder-like ∞(1)[Ca2(H2cpp)2(H2O)2] polymers [H2cpp is (4,5-dicyano-1,2-phenylene)bis(phosphonate)], which are created by two distinct coordination modes of the anionic H2cpp(2-) cyanophosphonate organic linkers: while one molecule is only bound to Ca(2+) cations via the phosphonate groups, the other establishes an extra single connection via a cyano group. Ladders close pack with water molecules through an extensive network of strong and highly directional O-H...O and O-H...N hydrogen bonds; the observed donor-acceptor distances range from 2.499 (5) to 3.004 (6) Å and the interaction angles were found in the range 135-178°. One water molecule was found to be disordered over three distinct crystallographic positions. A detailed solution-state NMR study of the organic linker is also provided.

  20. Carboxyl group (-CO2 H) functionalized coordination polymer nanoparticles as efficient platforms for drug delivery.

    PubMed

    Novio, Fernando; Lorenzo, Julia; Nador, Fabiana; Wnuk, Karolina; Ruiz-Molina, Daniel

    2014-11-17

    Functionalization of nanoparticles can significantly influence their properties and potential applications. Although researchers can now functionalize metal, metal oxide, and organic polymer nanoparticles with a high degree of precision, controlled surface functionalization of nanoscale coordination polymer particles (CPPs) has remained a significant challenge. The lack of methodology is perhaps one of the greatest roadblocks to the advancement of CPPs into high added-value drug delivery applications. Here, we report having achieved this goal through a stepwise formation and functionalization protocol. We fabricated robust nanoparticles with enhanced thermal and colloidal stabilities by incorporation of carboxyl groups and these surface carboxyl groups could be subsequently functionalized through well-known peptide coupling reactions. The set of chemistries that we employed as proof-of-concept enabled a plethora of new functional improvements for the application of CPPs as drug delivery carriers, including enhanced colloidal stabilities and the incorporation of additional functional groups such as polyethylene glycol (PEG) or fluorescent dyes that enabled tracking of their cellular uptake. Finally, we ascertained the cytotoxicity of the new CPP nanoparticles loaded with camptothecin to human breast adenocarcinoma (MCF-7). Efflux measurements show that the encapsulation of camptothecin enhances the potency of the drug 6.5-fold and increases the drug retention within the cell. PMID:25284328

  1. Coordination polymer structure and revisited hydrogen evolution catalytic mechanism for amorphous molybdenum sulfide

    NASA Astrophysics Data System (ADS)

    Tran, Phong D.; Tran, Thu V.; Orio, Maylis; Torelli, Stephane; Truong, Quang Duc; Nayuki, Keiichiro; Sasaki, Yoshikazu; Chiam, Sing Yang; Yi, Ren; Honma, Itaru; Barber, James; Artero, Vincent

    2016-06-01

    Molybdenum sulfides are very attractive noble-metal-free electrocatalysts for the hydrogen evolution reaction (HER) from water. The atomic structure and identity of the catalytically active sites have been well established for crystalline molybdenum disulfide (c-MoS2) but not for amorphous molybdenum sulfide (a-MoSx), which exhibits significantly higher HER activity compared to its crystalline counterpart. Here we show that HER-active a-MoSx, prepared either as nanoparticles or as films, is a molecular-based coordination polymer consisting of discrete [Mo3S13]2- building blocks. Of the three terminal disulfide (S22-) ligands within these clusters, two are shared to form the polymer chain. The third one remains free and generates molybdenum hydride moieties as the active site under H2 evolution conditions. Such a molecular structure therefore provides a basis for revisiting the mechanism of a-MoSx catalytic activity, as well as explaining some of its special properties such as reductive activation and corrosion. Our findings open up new avenues for the rational optimization of this HER electrocatalyst as an alternative to platinum.

  2. Carboxyl group (-CO2 H) functionalized coordination polymer nanoparticles as efficient platforms for drug delivery.

    PubMed

    Novio, Fernando; Lorenzo, Julia; Nador, Fabiana; Wnuk, Karolina; Ruiz-Molina, Daniel

    2014-11-17

    Functionalization of nanoparticles can significantly influence their properties and potential applications. Although researchers can now functionalize metal, metal oxide, and organic polymer nanoparticles with a high degree of precision, controlled surface functionalization of nanoscale coordination polymer particles (CPPs) has remained a significant challenge. The lack of methodology is perhaps one of the greatest roadblocks to the advancement of CPPs into high added-value drug delivery applications. Here, we report having achieved this goal through a stepwise formation and functionalization protocol. We fabricated robust nanoparticles with enhanced thermal and colloidal stabilities by incorporation of carboxyl groups and these surface carboxyl groups could be subsequently functionalized through well-known peptide coupling reactions. The set of chemistries that we employed as proof-of-concept enabled a plethora of new functional improvements for the application of CPPs as drug delivery carriers, including enhanced colloidal stabilities and the incorporation of additional functional groups such as polyethylene glycol (PEG) or fluorescent dyes that enabled tracking of their cellular uptake. Finally, we ascertained the cytotoxicity of the new CPP nanoparticles loaded with camptothecin to human breast adenocarcinoma (MCF-7). Efflux measurements show that the encapsulation of camptothecin enhances the potency of the drug 6.5-fold and increases the drug retention within the cell.

  3. Coordination polymer structure and revisited hydrogen evolution catalytic mechanism for amorphous molybdenum sulfide.

    PubMed

    Tran, Phong D; Tran, Thu V; Orio, Maylis; Torelli, Stephane; Truong, Quang Duc; Nayuki, Keiichiro; Sasaki, Yoshikazu; Chiam, Sing Yang; Yi, Ren; Honma, Itaru; Barber, James; Artero, Vincent

    2016-06-01

    Molybdenum sulfides are very attractive noble-metal-free electrocatalysts for the hydrogen evolution reaction (HER) from water. The atomic structure and identity of the catalytically active sites have been well established for crystalline molybdenum disulfide (c-MoS2) but not for amorphous molybdenum sulfide (a-MoSx), which exhibits significantly higher HER activity compared to its crystalline counterpart. Here we show that HER-active a-MoSx, prepared either as nanoparticles or as films, is a molecular-based coordination polymer consisting of discrete [Mo3S13](2-) building blocks. Of the three terminal disulfide (S2(2-)) ligands within these clusters, two are shared to form the polymer chain. The third one remains free and generates molybdenum hydride moieties as the active site under H2 evolution conditions. Such a molecular structure therefore provides a basis for revisiting the mechanism of a-MoSx catalytic activity, as well as explaining some of its special properties such as reductive activation and corrosion. Our findings open up new avenues for the rational optimization of this HER electrocatalyst as an alternative to platinum. PMID:26974410

  4. Alignment of One-Dimensional SnO2 Lines by Electrohydrodynamic Jet Printing.

    PubMed

    Choi, Hanna; Jung, Hyunsung; Choi, Duck-Kyun; Kim, Chang-Yeoul

    2016-02-01

    One-dimensional (1-D) SnO2 line as a representative semiconducting oxide were formed by electro- hydrodynamic jet-printing (EHD) of tin chloride pentahydrate and polyvinylpyrrolidone (PVP, 1,200 k, Aldrich) solution ink. The 1-D polymer lines including Sn precursors were created by controlling the viscosity, that is, polymer/tin precursor ratio, and adjusting printing conditions such as tip to substrate distance, applying voltage, flow rate of ink and velocity. The printed lines were dried at 200 degrees C to get rid of solvent and finally heat-treated at 600 degrees C to burn out PVP and form tin oxide line. We found out that the linearity and shape of the aligned 1-D SnO2 could be controlled by adjusting various parameters such as the viscosity of a precursor solution, the ratio of Sn to PVP polymer in the solution, the shape of a cone, the size of a droplet, the applied voltages, the working distance, the flow rate on the glass slides and the Si wafers with a SiPO2 layer, respectively. It is found out that the heat-treatment for the removal of polymers should be tailored to produce continuous 1-D SnO2 lines due to the drastic volume reduction (>90%) of the aligned fibers in the annealing process. The electrical properties of the 1-D SnO2 aligned on the Si wafers with Au electrode patterns were evaluated. PMID:27433678

  5. Tricarboxylate-based Gd(III) coordination polymers exhibiting large magnetocaloric effects.

    PubMed

    Liu, Sui-Jun; Cao, Chen; Xie, Chen-Chao; Zheng, Teng-Fei; Tong, Xiao-Lan; Liao, Jin-Sheng; Chen, Jing-Lin; Wen, He-Rui; Chang, Ze; Bu, Xian-He

    2016-05-31

    Two Gd(III) coordination polymers with the formula [Gd(cit)(H2O)]∞ () and [Gd(nta)(H2O)2]∞ () (H4cit = citric acid, H3nta = nitrilotriacetic acid) have been successfully prepared under hydrothermal conditions. Complex exhibits a three-dimensional (3D) structure based on carboxylate-bridged layers, while complex is a double-layer structure containing eight-coordinated Gd(III). Magnetic investigations reveal that weak antiferromagnetic couplings between adjacent Gd(III) ions in both and with different Weiss values result in large cryogenic magnetocaloric effects. It is notable that the maximum entropy changes (-ΔS) of and reach 31.3 J kg(-1) K(-1) and 32.2 J kg(-1) K(-1) at 2 K for a moderate field change (ΔH = 3 T), and a remarkable -ΔS (41.5 J kg(-1) K(-1) for and 42.0 J kg(-1) K(-1) for ) could be obtained for ΔH = 7 T.

  6. Gram-scale synthesis of coordination polymer nanodots with renal clearance properties for cancer theranostic applications

    PubMed Central

    Liu, Fuyao; He, Xiuxia; Chen, Hongda; Zhang, Junping; Zhang, Huimao; Wang, Zhenxin

    2015-01-01

    An ultrasmall hydrodynamic diameter is a critical factor for the renal clearance of nanoparticles from the body within a reasonable timescale. However, the integration of diagnostic and therapeutic components into a single ultrasmall nanoparticle remains challenging. In this study, pH-activated nanodots (termed Fe-CPNDs) composed of coordination polymers were synthesized via a simple and scalable method based on coordination reactions among Fe3+, gallic acid and poly(vinylpyrrolidone) at ambient conditions. The Fe-CPNDs exhibited ultrasmall (5.3 nm) hydrodynamic diameters and electrically neutral surfaces. The Fe-CPNDs also exhibited pH-activatable magnetic resonance imaging contrast and outstanding photothermal performance. The features of Fe-CPNDs greatly increased the tumour-imaging sensitivity and facilitated renal clearance after injection in animal models in vivo. Magnetic resonance imaging-guided photothermal therapy using Fe-CPNDs completely suppressed tumour growth. These findings demonstrate that Fe-CPNDs constitute a new class of renal clearable nanomedicine for photothermal therapy and molecular imaging. PMID:26245151

  7. Divergent layer topologies in divalent metal aliphatic dicarboxylate coordination polymers containing 3-pyridylmethylnicotinamide

    NASA Astrophysics Data System (ADS)

    White, Charmaine L.; Torres Salgado, Maria D.; Mizzi, Jessica E.; LaDuca, Robert L.

    2015-12-01

    Hydrothermal reaction of the requisite metal salt, an aliphatic dicarboxylic acid, and the hydrogen-bonding capable dipyridylamide ligand 3-pyridylmethylnicotinamide (3-pmna) resulted in four coordination polymers whose connectedness and layer topology depend on the metal coordination environment and dicarboxylate binding mode. These new crystalline phases were characterized by single crystal X-ray diffraction. [Cu(ox)(3-pmna)]n (1, ox = oxalate) manifests stacked 3-connected (6,3) herringbone layer motifs. {[Cd(mal)(3-pmna)(H2O)]·3H2O}n (2, mal = malonate) shows a 4-connected (4,4) grid topology with entrained water molecule trimeric chains in the interlamellar regions. {[Cd2(suc)2(3-pmna)(H2O)2]·3H2O}n (3, suc = succinate) possesses {Cd2O2} dimer-based [Cd(suc)]n layers pillared by 3-pmna ligands into a 5-connected sandwich motif with 4862 topology. {[Cd(glu)(3-pmna)(H2O)]·3H2O}n (4, glu = glutarate) manifests a rippled (4,4) grid topology. Luminescent behavior in the cadmium complexes is ascribed to intra-ligand molecular orbital transitions. Thermal decomposition behavior is also discussed herein.

  8. Gram-scale synthesis of coordination polymer nanodots with renal clearance properties for cancer theranostic applications

    NASA Astrophysics Data System (ADS)

    Liu, Fuyao; He, Xiuxia; Chen, Hongda; Zhang, Junping; Zhang, Huimao; Wang, Zhenxin

    2015-08-01

    An ultrasmall hydrodynamic diameter is a critical factor for the renal clearance of nanoparticles from the body within a reasonable timescale. However, the integration of diagnostic and therapeutic components into a single ultrasmall nanoparticle remains challenging. In this study, pH-activated nanodots (termed Fe-CPNDs) composed of coordination polymers were synthesized via a simple and scalable method based on coordination reactions among Fe3+, gallic acid and poly(vinylpyrrolidone) at ambient conditions. The Fe-CPNDs exhibited ultrasmall (5.3 nm) hydrodynamic diameters and electrically neutral surfaces. The Fe-CPNDs also exhibited pH-activatable magnetic resonance imaging contrast and outstanding photothermal performance. The features of Fe-CPNDs greatly increased the tumour-imaging sensitivity and facilitated renal clearance after injection in animal models in vivo. Magnetic resonance imaging-guided photothermal therapy using Fe-CPNDs completely suppressed tumour growth. These findings demonstrate that Fe-CPNDs constitute a new class of renal clearable nanomedicine for photothermal therapy and molecular imaging.

  9. Four homochiral coordination polymers contain N-acetyl-L-tyrosine and different N-donor ligand: Influence of metal cations, ancillary ligands and coordination modes

    SciTech Connect

    Li, Meng-Li; Song, Hui-Hua

    2013-10-15

    Using the chiral ligand N-acetyl-L-tyrosine (Hacty) and maintaining identical reaction conditions, Zn(II), Co(II), and Cd(II) salts provided four novel homochiral coordination polymers ([Zn(acty)(bipy){sub 2}(H{sub 2}O){sub 2}]·NO{sub 3}·2H{sub 2}O){sub n}1, ([Co(acty)(bipy){sub 2}(H{sub 2}O){sub 2}]·NO{sub 3}·2H{sub 2}O){sub n}2, ([Cd(acty){sub 2}(bipy)H{sub 2}O]·H{sub 2}O){sub n}3, and ([Cd(acty)(bpe){sub 2}(Ac)]·6H{sub 2}O){sub n}4 (bipy=4,4′-bipyridine; bpe=1,2-di(4-pyridyl)ethane) in the presence of ancillary ligands. Compounds 1 and 2 are isostructural 1D chain structures. The neighboring chains are further linked into a 3D supramolecular structure via π⋯π stacking and hydrogen bond interactions. Compound 3 shows a 2D network and 4 generates 1D infinite chains along the c-axis. Compounds 3 and 4 are further connected into 3D supramolecular network by hydrogen bond interactions. More importantly, coordination in acyl oxygen atoms and ancillary ligands (bpe) as monodentate decorating ligands in 4 are rarely reported. Ancillary ligands and metal cations significantly influence the structure of the complexes. The photoluminescence properties of 1, 3, and 4 were studied at room temperature. Circular dichroism (CD) of the complexes have been investigated. - Graphical abstract: Four new homochiral coordination polymers were prepared and structurally characterized, which investigate the influence of the ancillary ligands and metal ions on the design and synthesis of coordination polymers. Display Omitted - Highlights: • It is rarely reported that the chiral coordination polymers prepared with N-acetyl-L-tyrosine ligands. • The alkalescent acetyl oxygen atom is difficult to participate in coordination but it is happened in the N-acetyl-L-tyrosine ligands. • The ancillary ligands (4,4′-bipy and bpe) are present in an unusual coordination modes, monodentate decorating ligands in 1, 2 and 4. • Structure comparative analyses results indicate that the

  10. Users manual for a one-dimensional Lagrangian transport model

    USGS Publications Warehouse

    Schoellhamer, D.H.; Jobson, H.E.

    1986-01-01

    A Users Manual for the Lagrangian Transport Model (LTM) is presented. The LTM uses Lagrangian calculations that are based on a reference frame moving with the river flow. The Lagrangian reference frame eliminates the need to numerically solve the convective term of the convection-diffusion equation and provides significant numerical advantages over the more commonly used Eulerian reference frame. When properly applied, the LTM can simulate riverine transport and decay processes within the accuracy required by most water quality studies. The LTM is applicable to steady or unsteady one-dimensional unidirectional flows in fixed channels with tributary and lateral inflows. Application of the LTM is relatively simple and optional capabilities improve the model 's convenience. Appendices give file formats and three example LTM applications that include the incorporation of the QUAL II water quality model 's reaction kinetics into the LTM. (Author 's abstract)

  11. Periodic transmission peak splitting in one dimensional disordered photonic structures

    NASA Astrophysics Data System (ADS)

    Kriegel, Ilka; Scotognella, Francesco

    2016-08-01

    In the present paper we present ways to modulate the periodic transmission peaks arising in disordered one dimensional photonic structures with hundreds of layers. Disordered structures in which the optical length nd (n is the refractive index and d the layer thickness) is the same for each layer show regular peaks in their transmission spectra. A proper variation of the optical length of the layers leads to a splitting of the transmission peaks. Notably, the variation of the occurrence of high and low refractive index layers, gives a tool to tune also the width of the peaks. These results are of highest interest for optical application, such as light filtering, where the manifold of parameters allows a precise design of the spectral transmission ranges.

  12. One-Dimensional Time to Explosion (Thermal Sensitivity) of ANPZ

    SciTech Connect

    Hsu, P.; Hust, G.; McClelland, M.; Gresshoff, M.

    2014-11-12

    Incidents caused by fire and combat operations can heat energetic materials that may lead to thermal explosion and result in structural damage and casualty. Some explosives may thermally explode at fairly low temperatures (< 100 C) and the violence from thermal explosion may cause a significant damage. Thus it is important to understand the response of energetic materials to thermal insults. The One Dimensional Time to Explosion (ODTX) system at the Lawrence Livermore National Laboratory has been used for decades to measure times to explosion, threshold thermal explosion temperature, and determine kinetic parameters of energetic materials. Samples of different configurations (pressed part, powder, paste, and liquid) can be tested in the system. The ODTX testing can also provide useful data for assessing the thermal explosion violence of energetic materials. This report summarizes the recent ODTX experimental data and modeling results for 2,6-diamino-3,5-dintropyrazine (ANPZ).

  13. Negative refraction characterization in one-dimensional photonic crystals

    NASA Astrophysics Data System (ADS)

    Doti, R.; Lugo, J. E.; Faubert, J.

    2012-10-01

    In this work we present two experiments as evidence of negative refraction in one dimensional photonics crystals (1D PC). Particularly the porous silicon (p-Si) multilayer structure is used as 1D PC since this structure presents periodic dielectric components with specific refraction indexes and under certain conditions it can abnormally refract the light. In the first experiment we show the negative refraction for two different wavelengths, one in the visible, and the other in the infrared regions of the spectrum. In this experiment we use a fixed incidence angle for a conditioned white light beam and we look for the emerging negative refracted beam. In the second experiment we characterize de negative refraction observed for the same material by varying the incidence angle in a wide range. The obtained results are compared with a theoretic prediction according a model proposed by the authors [1]. We present a brief description of the material production and its properties, as well.

  14. Negative refraction in one-dimensional photonic crystals

    NASA Astrophysics Data System (ADS)

    Lugo, J. E.; Doti, Rafael; Faubert, J.

    2012-10-01

    Photonic crystals are artificial structures that have periodic dielectric components with different refractive indices. Under certain conditions, they abnormally refract the light, a phenomenon called negative refraction. Here, we discuss recent theoretical and simulation results that showed that negative refraction could be present near the low frequency edge of at least the second, fourth and sixth bandgaps of a lossless one-dimensional photonic crystals (1DPC) structure. That is, negative refraction is a multiband phenomenon. We also discuss the negative refraction correctness condition that gives the angular region where negative refraction occurs. We compare two current negative refraction theoretical models with recent experimental results. In order to succeed, an output refraction correction is utilized. The correction uses Snell's law and an effective refractive index based on two effective dielectric constants. We found good agreement between experiment and both theoretical models in the negative refraction zone.

  15. A Reduced Order, One Dimensional Model of Joint Response

    SciTech Connect

    DOHNER,JEFFREY L.

    2000-11-06

    As a joint is loaded, the tangent stiffness of the joint reduces due to slip at interfaces. This stiffness reduction continues until the direction of the applied load is reversed or the total interface slips. Total interface slippage in joints is called macro-slip. For joints not undergoing macro-slip, when load reversal occurs the tangent stiffness immediately rebounds to its maximum value. This occurs due to stiction effects at the interface. Thus, for periodic loads, a softening and rebound hardening cycle is produced which defines a hysteretic, energy absorbing trajectory. For many jointed sub-structures, this hysteretic trajectory can be approximated using simple polynomial representations. This allows for complex joint substructures to be represented using simple non-linear models. In this paper a simple one dimensional model is discussed.

  16. One-dimensional Kondo lattice model at quarter filling

    NASA Astrophysics Data System (ADS)

    Xavier, J. C.; Miranda, E.

    2008-10-01

    We revisit the problem of the quarter-filled one-dimensional Kondo lattice model, for which the existence of a dimerized phase and a nonzero charge gap had been reported by Xavier [Phys. Rev. Lett. 90, 247204 (2003)]. Recently, some objections were raised claiming that the system is neither dimerized nor has a charge gap. In the interest of clarifying this important issue, we show that these objections are based on results obtained under conditions in which the dimer order is artificially suppressed. We use the incontrovertible dimerized phase of the Majumdar-Ghosh point of the J1-J2 Heisenberg model as a paradigm with which to illustrate this artificial suppression. Finally, by means of extremely accurate density-matrix renormalization-group calculations, we show that the charge gap is indeed nonzero in the dimerized phase.

  17. Localization of wave packets in one-dimensional random potentials

    NASA Astrophysics Data System (ADS)

    Valdes, Juan Pablo Ramírez; Wellens, Thomas

    2016-06-01

    We study the expansion of an initially strongly confined wave packet in a one-dimensional weak random potential with short correlation length. At long times, the expansion of the wave packet comes to a halt due to destructive interferences leading to Anderson localization. We develop an analytical description for the disorder-averaged localized density profile. For this purpose, we employ the diagrammatic method of Berezinskii which we extend to the case of wave packets, present an analytical expression of the Lyapunov exponent which is valid for small as well as for high energies, and, finally, develop a self-consistent Born approximation in order to analytically calculate the energy distribution of our wave packet. By comparison with numerical simulations, we show that our theory describes well the complete localized density profile, not only in the tails but also in the center.

  18. Novel superconducting phenomena in quasi-one-dimensional Bechgaard salts

    NASA Astrophysics Data System (ADS)

    Jerome, Denis; Yonezawa, Shingo

    2016-03-01

    It is the saturation of the transition temperature Tc in the range of 24 K for known materials in the late sixties that triggered the search for additional materials offering new coupling mechanisms leading in turn to higher Tc's. As a result of this stimulation, superconductivity in organic matter was discovered in tetramethyl-tetraselenafulvalene-hexafluorophosphate, (TMTSF)2PF6, in 1979, in the laboratory founded at Orsay by Professor Friedel and his colleagues in 1962. Although this conductor is a prototype example for low-dimensional physics, we mostly focus in this article on the superconducting phase of the ambient-pressure superconductor (TMTSF)2ClO4, which has been studied most intensively among the TMTSF salts. We shall present a series of experimental results supporting nodal d-wave symmetry for the superconducting gap in these prototypical quasi-one-dimensional conductors. xml:lang="fr"

  19. Probing the excitations of a one dimensional topological Bose insulator

    NASA Astrophysics Data System (ADS)

    Dalla Torre, Emanuele G.; Berg, Erez; Altman, Ehud

    2008-03-01

    We investigate the dynamic response of a system of ultracold dipolar atoms or molecules in the one dimensional Haldane Bose insulator phase. This phase, which was recently predicted theoretically [1], is characterized by non-local string order and its elementary excitations are domain walls in this order. We compute experimentally relevant response functions and we derive asymptotically exact expressions near the quantum critical points separating the Haldane insulator from the conventional Mott and density wave insulators. In particular, we predict a narrow absorption peak in Bragg spectroscopy experiments, due to the excitation of a single domain wall in the string order. [1] E.G. Dalla Torre, E. Berg, E. Altman, Phys. Rev Lett. 97, 260401 (2006)

  20. One-dimensional hybrid nanostructures for heterogeneous photocatalysis and photoelectrocatalysis.

    PubMed

    Xiao, Fang-Xing; Miao, Jianwei; Tao, Hua Bing; Hung, Sung-Fu; Wang, Hsin-Yi; Yang, Hong Bin; Chen, Jiazang; Chen, Rong; Liu, Bin

    2015-05-13

    Semiconductor-based photocatalysis and photoelectrocatalysis have received considerable attention as alternative approaches for solar energy harvesting and storage. The photocatalytic or photoelectrocatalytic performance of a semiconductor is closely related to the design of the semiconductor at the nanoscale. Among various nanostructures, one-dimensional (1D) nanostructured photocatalysts and photoelectrodes have attracted increasing interest owing to their unique optical, structural, and electronic advantages. In this article, a comprehensive review of the current research efforts towards the development of 1D semiconductor nanomaterials for heterogeneous photocatalysis and photoelectrocatalysis is provided and, in particular, a discussion of how to overcome the challenges for achieving full potential of 1D nanostructures is presented. It is anticipated that this review will afford enriched information on the rational exploration of the structural and electronic properties of 1D semiconductor nanostructures for achieving more efficient 1D nanostructure-based photocatalysts and photoelectrodes for high-efficiency solar energy conversion.

  1. Strongly-Refractive One-Dimensional Photonic Crystal Prisms

    NASA Technical Reports Server (NTRS)

    Ting, David Z. (Inventor)

    2004-01-01

    One-dimensional (1D) photonic crystal prisms can separate a beam of polychromatic electromagnetic waves into constituent wavelength components and can utilize unconventional refraction properties for wavelength dispersion over significant portions of an entire photonic band rather than just near the band edges outside the photonic band gaps. Using a ID photonic crystal simplifies the design and fabrication process and allows the use of larger feature sizes. The prism geometry broadens the useful wavelength range, enables better optical transmission, and exhibits angular dependence on wavelength with reduced non-linearity. The properties of the 1 D photonic crystal prism can be tuned by varying design parameters such as incidence angle, exit surface angle, and layer widths. The ID photonic crystal prism can be fabricated in a planar process, and can be used as optical integrated circuit elements.

  2. Topological phase transition in quasi-one dimensional organic conductors.

    PubMed

    Ye, Xiao-Shan; Liu, Yong-Jun; Zeng, Xiang-Hua; Wu, Guoqing

    2015-01-01

    We explore topological phase transition, which involves the energy spectra of field-induced spin-density-wave (FISDW) states in quasi-one dimensional (Q1D) organic conductors, using an extended Su-Schrieffer-Heeger (SSH) model. We show that, in presence of half magnetic-flux FISDW state, the system exhibits topologically nontrivial phases, which can be characterized by a nonzero Chern number. The nontrivial evolution of the bulk bands with chemical potential in a topological phase transition is discussed. We show that the system can have a similar phase diagram which is discussed in the Haldane's model. We suggest that the topological feature should be tested experimentally in this organic system. These studies enrich the theoretical research on topologically nontrivial phases in the Q1D lattice system as compared to the Haldane topological phase appearing in the two-dimensional lattices. PMID:26612317

  3. Quasi one dimensional transport in individual electrospun composite nanofibers

    SciTech Connect

    Avnon, A. Datsyuk, V.; Trotsenko, S.; Wang, B.; Zhou, S.

    2014-01-15

    We present results of transport measurements of individual suspended electrospun nanofibers Poly(methyl methacrylate)-multiwalled carbon nanotubes. The nanofiber is comprised of highly aligned consecutive multiwalled carbon nanotubes. We have confirmed that at the range temperature from room temperature down to ∼60 K, the conductance behaves as power-law of temperature with an exponent of α ∼ 2.9−10.2. The current also behaves as power law of voltage with an exponent of β ∼ 2.3−8.6. The power-law behavior is a footprint for one dimensional transport. The possible models of this confined system are discussed. Using the model of Luttinger liquid states in series, we calculated the exponent for tunneling into the bulk of a single multiwalled carbon nanotube α{sub bulk} ∼ 0.06 which agrees with theoretical predictions.

  4. Polaron and bipolaron of uniaxially strained one dimensional zigzag ladder

    NASA Astrophysics Data System (ADS)

    Yavidov, B. Ya.

    2016-09-01

    An influence of the uniaxial strains in one dimensional zigzag ladder (1DZL) on the properties of polarons and bipolarons is considered. It is shown that strain changes all the parameters of the system, in particular, spectrum, existing bands and the masses of charge carriers. Numerical results obtained by taking into an account the Poisson effect clearly indicate that the properties of the (bi)polaronic system can be tuned via strain. Mass of bipolaron can be manipulated by the strain too which in turn leads to the way of tuning Bose-Einstein condensation temperature TBEC of bipolarons. It is shown that TBEC of bipolarons in strained 1DZL reasonably correlates with the values of critical temperature of superconductivity of certain perovskites.

  5. Loschmidt echo in one-dimensional interacting Bose gases

    SciTech Connect

    Lelas, K.; Seva, T.; Buljan, H.

    2011-12-15

    We explore Loschmidt echo in two regimes of one-dimensional interacting Bose gases: the strongly interacting Tonks-Girardeau (TG) regime, and the weakly interacting mean-field regime. We find that the Loschmidt echo of a TG gas decays as a Gaussian when small (random and time independent) perturbations are added to the Hamiltonian. The exponent is proportional to the number of particles and the magnitude of a small perturbation squared. In the mean-field regime the Loschmidt echo shows richer behavior: it decays faster for larger nonlinearity, and the decay becomes more abrupt as the nonlinearity increases; it can be very sensitive to the particular realization of the noise potential, especially for relatively small nonlinearities.

  6. Nonlinear dynamics of one-dimensional supersonic Langmuir waves

    SciTech Connect

    Jungwirth, K. ); Breizman, B.N. )

    1991-08-01

    In this review specific features of dynamics of Langmuir waves in the supersonic regime are illustrated with several examples. It is shown that the limit of an adiabatic approximation considerably extends the range of analytically solvable problems. It permits one to formulate and rigorously analyze the modulational instability, as well as to explain many empirical laws deduced from numerical simulations. The formulation describes not only collapsing cavities in two and three dimensions, but predicts also the existence of compound'' solitons in a one-dimensional model. In the same model the transition from weak turbulence to the adiabatic approximation is analyzed, including phenomena of ion-sound emission by autolocalized and self-trapped plasmons. Further, the individual and collective processes of soliton formation, their mutual collisions, and their destruction by ion-sound pulses are discussed.

  7. Quantum quench dynamics in analytically solvable one-dimensional models

    NASA Astrophysics Data System (ADS)

    Iucci, Anibal; Cazalilla, Miguel A.; Giamarchi, Thierry

    2008-03-01

    In connection with experiments in cold atomic systems, we consider the non-equilibrium dynamics of some analytically solvable one-dimensional systems which undergo a quantum quench. In this quench one or several of the parameters of the Hamiltonian of an interacting quantum system are changed over a very short time scale. In particular, we concentrate on the Luttinger model and the sine-Gordon model in the Luther-Emery point. For the latter, we show that the order parameter and the two-point correlation function relax in the long time limit to the values determined by a generalized Gibbs ensemble first discussed by J. T. Jaynes [Phys. Rev. 106, 620 (1957); 108, 171 (1957)], and recently conjectured by M. Rigol et.al. [Phys. Rev. Lett. 98, 050405 (2007)] to apply to the non-equilibrium dynamics of integrable systems.

  8. Critical conductance of a one-dimensional doped Mott insulator

    NASA Astrophysics Data System (ADS)

    Garst, M.; Novikov, D. S.; Stern, Ady; Glazman, L. I.

    2008-01-01

    We consider the two-terminal conductance of a one-dimensional Mott insulator undergoing the commensurate-incommensurate quantum phase transition to a conducting state. We treat the leads as Luttinger liquids. At a specific value of compressibility of the leads, corresponding to the Luther-Emery point, the conductance can be described in terms of the free propagation of noninteracting fermions with charge e/2 . At that point, the temperature dependence of the conductance across the quantum phase transition is described by a Fermi function. The deviation from the Luther-Emery point in the leads changes the temperature dependence qualitatively. In the metallic state, the low-temperature conductance is determined by the properties of the leads, and is described by the conventional Luttinger-liquid theory. In the insulating state, conductance occurs via activation of e/2 charges, and is independent of the Luttinger-liquid compressibility.

  9. Atom-Molecule Coherence in a One-Dimensional System

    NASA Astrophysics Data System (ADS)

    Citro, R.; Orignac, E.

    2005-09-01

    We study a model of one-dimensional fermionic atoms with a narrow Feshbach resonance that allows them to bind in pairs to form bosonic molecules. We show that at low energy, a coherence develops between the molecule and fermion Luttinger liquids. At the same time, a gap opens in the spin excitation spectrum. The coherence implies that the order parameters for the molecular Bose-Einstein condensation and the atomic BCS pairing become identical. Moreover, both bosonic and fermionic charge density wave correlations decay exponentially, in contrast with a usual Luttinger liquid. We exhibit a Luther-Emery point where the systems can be described in terms of noninteracting pseudofermions. At this point we discuss the threshold behavior of density-density response functions.

  10. One-dimensional compression of sands at high pressures

    SciTech Connect

    Yamamuro, J.A.; Bopp, P.A.; Lade, P.V.

    1996-02-01

    A one-dimensional testing apparatus was developed to test soils to axial stresses up to 850 MPa. The apparatus was instrumented with strain gauges such that lateral soil stresses, and therefore K{sub 0}, could be inferred from measured circumferential strains. Three different initial densities of quartz, Cambria, and gypsum sands were tested and it was found that the effect of initial density was eliminated at high stress magnitudes. This stress magnitude was higher for mineralogically harder grains than for softer grains. The inferred values of K{sub 0} for the mineralogically harder Cambria sand was found to be constant at high pressures, but slightly below that indicates by Jaky`s equation. However, the softer gypsum sand indicated increasing values of K{sub 0} as the stress magnitude increased. This apparently was caused by inelastic, viscous flow during shearing.

  11. Topological phase transition in quasi-one dimensional organic conductors

    NASA Astrophysics Data System (ADS)

    Ye, Xiao-Shan; Liu, Yong-Jun; Zeng, Xiang-Hua; Wu, Guoqing

    2015-11-01

    We explore topological phase transition, which involves the energy spectra of field-induced spin-density-wave (FISDW) states in quasi-one dimensional (Q1D) organic conductors, using an extended Su-Schrieffer-Heeger (SSH) model. We show that, in presence of half magnetic-flux FISDW state, the system exhibits topologically nontrivial phases, which can be characterized by a nonzero Chern number. The nontrivial evolution of the bulk bands with chemical potential in a topological phase transition is discussed. We show that the system can have a similar phase diagram which is discussed in the Haldane’s model. We suggest that the topological feature should be tested experimentally in this organic system. These studies enrich the theoretical research on topologically nontrivial phases in the Q1D lattice system as compared to the Haldane topological phase appearing in the two-dimensional lattices.

  12. One dimensional 1H, 2H and 3H

    NASA Astrophysics Data System (ADS)

    Vidal, A. J.; Astrakharchik, G. E.; Vranješ Markić, L.; Boronat, J.

    2016-05-01

    The ground-state properties of one-dimensional electron-spin-polarized hydrogen 1H, deuterium 2H, and tritium 3H are obtained by means of quantum Monte Carlo methods. The equations of state of the three isotopes are calculated for a wide range of linear densities. The pair correlation function and the static structure factor are obtained and interpreted within the framework of the Luttinger liquid theory. We report the density dependence of the Luttinger parameter and use it to identify different physical regimes: Bogoliubov Bose gas, super-Tonks-Girardeau gas, and quasi-crystal regimes for bosons; repulsive, attractive Fermi gas, and quasi-crystal regimes for fermions. We find that the tritium isotope is the one with the richest behavior. Our results show unambiguously the relevant role of the isotope mass in the properties of this quantum system.

  13. Topological phase transition in quasi-one dimensional organic conductors

    PubMed Central

    Ye, Xiao-Shan; Liu, Yong-Jun; Zeng, Xiang-Hua; Wu, Guoqing

    2015-01-01

    We explore topological phase transition, which involves the energy spectra of field-induced spin-density-wave (FISDW) states in quasi-one dimensional (Q1D) organic conductors, using an extended Su-Schrieffer-Heeger (SSH) model. We show that, in presence of half magnetic-flux FISDW state, the system exhibits topologically nontrivial phases, which can be characterized by a nonzero Chern number. The nontrivial evolution of the bulk bands with chemical potential in a topological phase transition is discussed. We show that the system can have a similar phase diagram which is discussed in the Haldane’s model. We suggest that the topological feature should be tested experimentally in this organic system. These studies enrich the theoretical research on topologically nontrivial phases in the Q1D lattice system as compared to the Haldane topological phase appearing in the two-dimensional lattices. PMID:26612317

  14. Sonic black holes in a one-dimensional relativistic flow

    NASA Astrophysics Data System (ADS)

    Carbonaro, P.

    2015-09-01

    The analogy between sound propagation in a fluid background and light propagation in a curved spacetime, discovered by Unruh in 1981, does not work in general when considering the motion of a fluid which is confined in one spatial dimension being unable in (1+1) dimensions to introduce in a coherent manner an effective acoustic metric, barring some exceptional cases. In this paper a relativistic fluid is considered and the general condition for the existence of an acoustic metric in strictly one-dimensional systems is found. Attention is also paid to the physical meaning of the equations of state characterizing such systems and to the remarkable symmetry of structure taken by the basic equations. Finally the Hawking temperature is calculated in an artificial de Laval nozzle.

  15. One-dimensional optical lattices and impenetrable bosons

    SciTech Connect

    Cazalilla, M.A. |

    2003-05-01

    We study the limit of large on-site repulsion of the one-dimensional Bose-Hubbard model at low densities, and derive a strong-coupling effective Hamiltonian. By taking the lattice parameter to zero, the Hamiltonian becomes a continuum model of fermions with attractive interactions. The leading corrections to the internal energy of a hard-core-boson (Tonks) gas as well as the (finite temperature) pair correlations of a strongly interacting Bose gas are calculated. We explore the possibility of realizing, in an optical lattice, a Luttinger liquid with stronger density correlations than the Tonks gas. A quantum phase transition to a charge-density-wave Mott insulator is also discussed.

  16. One-dimensional Ising model with multispin interactions

    NASA Astrophysics Data System (ADS)

    Turban, Loïc

    2016-09-01

    We study the spin-1/2 Ising chain with multispin interactions K involving the product of m successive spins, for general values of m. Using a change of spin variables the zero-field partition function of a finite chain is obtained for free and periodic boundary conditions and we calculate the two-spin correlation function. When placed in an external field H the system is shown to be self-dual. Using another change of spin variables the one-dimensional Ising model with multispin interactions in a field is mapped onto a zero-field rectangular Ising model with first-neighbour interactions K and H. The 2D system, with size m × N/m, has the topology of a cylinder with helical BC. In the thermodynamic limit N/m\\to ∞ , m\\to ∞ , a 2D critical singularity develops on the self-duality line, \\sinh 2K\\sinh 2H=1.

  17. Growth of One-Dimensional MnO2 Nanostructure

    NASA Astrophysics Data System (ADS)

    Lu, Pai; Xue, Dongfeng

    Large scale MnO2 nanorods were controllably synthesized from the inexpensive precursors (e.g., manganese acetate, ammonium persulfate) via a facile one-step low temperature hydrothermal strategy. The crystal phase and microscopic morphology of the as-prepared MnO2 nanorods were characterized by X-ray powder diffraction (XRD) and scanning electron microscope (SEM). Through investigating the morphology evolution of MnO2 products in the whole synthesis process, a novel growth mechanism of these MnO2 nanorods was proposed, which may be efficiently extended to other material systems as a general approach towards one-dimensional nanostructures. The obtained MnO2 nanorods may have potential applications in Li-ion batteries and supercapacitors.

  18. Magnons in one-dimensional k-component Fibonacci structures

    SciTech Connect

    Costa, C. H.; Vasconcelos, M. S.

    2014-05-07

    We have studied the magnon transmission through of one-dimensional magnonic k-component Fibonacci structures, where k different materials are arranged in accordance with the following substitution rule: S{sub n}{sup (k)}=S{sub n−1}{sup (k)}S{sub n−k}{sup (k)} (n≥k=0,1,2,…), where S{sub n}{sup (k)} is the nth stage of the sequence. The calculations were carried out in exchange dominated regime within the framework of the Heisenberg model and taking into account the RPA approximation. We have considered multilayers composed of simple cubic spin-S Heisenberg ferromagnets, and, by using the powerful transfer-matrix method, the spin wave transmission is obtained. It is demonstrated that the transmission coefficient has a rich and interesting magnonic pass- and stop-bands structures, which depends on the frequency of magnons and the k values.

  19. One-dimensional quantum spin heterojunction as a thermal switch

    NASA Astrophysics Data System (ADS)

    Yang, Chuan-Jing; Jin, Li-Hui; Gong, Wei-Jiang

    2016-03-01

    We study the thermal transport through a quantum spin-1 2 heterojunction, which consists of a finite-size chain with two-site anisotropic XY interaction and three-site XZX+YZY interaction coupled at its ends to two semi-infinite isotropic XY chains. By performing the Jordan-Wigner transformation, the original spin Hamiltonian is mapped onto a fermionic Hamiltonian. Then, the fermionic structure is discussed, and the heat current as a function of structural parameters is evaluated. It is found that the magnetic fields applied at respective chains play different roles in adjusting the heat current in this heterojunction. Moreover, the interplay between the anisotropy of the XY interaction and the three-site spin interaction assists to further control the thermal transport. In view of the numerical results, we propose this heterojunction to be an alternate candidate for manipulating the heat current in one-dimensional (1D) systems.

  20. Quantum rectifier in a one-dimensional photonic channel

    NASA Astrophysics Data System (ADS)

    Mascarenhas, E.; Santos, M. F.; Auffèves, A.; Gerace, D.

    2016-04-01

    By using a fully quantum approach based on an input-output formulation of the stochastic Schrödinger equation, we show rectification of radiation fields in a one-dimensional waveguide doped with a pair of ideal two-level systems for three topical cases: classical driving, under the action of noise, and single-photon pulsed excitation. We show that even under the constant action of unwanted noise the device still operates effectively as an optical isolator, which is of critical importance for noise resistance. Finally, harnessing stimulated emission allows for nonreciprocal behavior for single-photon inputs, thus showing purely quantum rectification at the single-photon level. The latter is a considerable step towards the ultimate goal of devising an unconditional quantum rectifier for arbitrary quantum states.

  1. Reprint of : Absorbing/Emitting Phonons with one dimensional MOSFETs

    NASA Astrophysics Data System (ADS)

    Bosisio, Riccardo; Gorini, Cosimo; Fleury, Geneviève; Pichard, Jean-Louis

    2016-08-01

    We consider nanowires in the field effect transistor device configuration. Modeling each nanowire as a one dimensional lattice with random site potentials, we study the heat exchanges between the nanowire electrons and the substrate phonons, when electron transport is due to phonon-assisted hops between localized states. Shifting the nanowire conduction band with a metallic gate induces different behaviors. When the Fermi potential is located near the band center, a bias voltage gives rise to small local heat exchanges which fluctuate randomly along the nanowire. When it is located near one of the band edges, the bias voltage yields heat currents which flow mainly from the substrate towards the nanowire near one boundary of the nanowire, and in the opposite direction near the other boundary. This opens interesting perspectives for heat management at submicron scales: arrays of parallel gated nanowires could be used for a field control of phonon emission/absorption.

  2. Excitations of one-dimensional supersolids with optical lattices

    NASA Astrophysics Data System (ADS)

    Hsueh, C.-H.; Tsai, Y.-C.; Wu, W. C.

    2016-06-01

    Based on mean-field Gross-Pitaevskii and Bogoliubov-de Gennes approaches, we investigate excitations of a one-dimensional soft-core interacting ultracold Bose gas under the effect of an optical lattice. It is found that no matter how deep the lattice is, at q →0 the lowest mode corresponds to a gapless phonon, ω12=v12q2 , whereas the second lowest mode corresponds to a gapped optical phonon, ω22=Δ2±v22q2 . Determination of the velocities v1,v2 , the gap Δ , and the possible sign change in ω2 upon the change of lattice depth can give decisive measures to the transitions across various supersolid and solid states. The power law v1˜(fs) 1 /2 with fs the superfluid fraction is identified in the present system at the tight-binding regime.

  3. Erosion by a one-dimensional random walk

    NASA Astrophysics Data System (ADS)

    Chisholm, Rebecca H.; Hughes, Barry D.; Landman, Kerry A.

    2014-08-01

    We consider a model introduced by Baker et al. [Phys. Rev. E 88, 042113 (2013), 10.1103/PhysRevE.88.042113] of a single lattice random walker moving on a domain of allowed sites, surrounded by blocked sites. The walker enlarges the allowed domain by eroding the boundary at its random encounters with blocked boundary sites: attempts to step onto blocked sites succeed with a given probability and convert these sites to allowed sites. The model interpolates continuously between the Pólya random walker on the one-dimensional lattice and a "blind" walker who attempts freely, but always aborts, moves to blocked sites. We obtain some exact results about the walker's location and the rate of erosion.

  4. One dimensional modeling of blood flow in large networks

    NASA Astrophysics Data System (ADS)

    Wang, Xiaofei; Lagree, Pierre-Yves; Fullana, Jose-Maria; Lorthois, Sylvie; Institut de Mecanique des Fluides de Toulouse Collaboration

    2014-11-01

    A fast and valid simulation of blood flow in large networks of vessels can be achieved with a one-dimensional viscoelastic model. In this paper, we developed a parallel code with this model and computed several networks: a circle of arteries, a human systemic network with 55 arteries and a vascular network of mouse kidney with more than one thousand segments. The numerical results were verified and the speedup of parallel computing was tested on multi-core computers. The evolution of pressure distributions in all the networks were visualized and we can see clearly the propagation patterns of the waves. This provides us a convenient tool to simulate blood flow in networks.

  5. Diffusion and ballistic transport in one-dimensional quantum systems.

    PubMed

    Sirker, J; Pereira, R G; Affleck, I

    2009-11-20

    It has been conjectured that transport in integrable one-dimensional systems is necessarily ballistic. The large diffusive response seen experimentally in nearly ideal realizations of the S=1/2 1D Heisenberg model is therefore puzzling and has not been explained so far. Here, we show that, contrary to common belief, diffusion is universally present in interacting 1D systems subject to a periodic lattice potential. We present a parameter-free formula for the spin-lattice relaxation rate which is in excellent agreement with experiment. Furthermore, we calculate the current decay directly in the thermodynamic limit using a time-dependent density matrix renormalization group algorithm and show that an anomalously large time scale exists even at high temperatures. PMID:20366058

  6. Superconducting cosmic strings and one dimensional extended supersymmetric algebras

    SciTech Connect

    Oikonomou, V.K.

    2014-11-15

    In this article we study in detail the supersymmetric structures that underlie the system of fermionic zero modes around a superconducting cosmic string. Particularly, we extend the analysis existing in the literature on the one dimensional N=2 supersymmetry and we find multiple N=2, d=1 supersymmetries. In addition, compact perturbations of the Witten index of the system are performed and we find to which physical situations these perturbations correspond. More importantly, we demonstrate that there exists a much more rich supersymmetric structure underlying the system of fermions with N{sub f} flavors and these are N-extended supersymmetric structures with non-trivial topological charges, with “N” depending on the fermion flavors.

  7. Experiment and simulation on one-dimensional plasma photonic crystals

    SciTech Connect

    Zhang, Lin; Ouyang, Ji-Ting

    2014-10-15

    The transmission characteristics of microwaves passing through one-dimensional plasma photonic crystals (PPCs) have been investigated by experiment and simulation. The PPCs were formed by a series of discharge tubes filled with argon at 5 Torr that the plasma density in tubes can be varied by adjusting the discharge current. The transmittance of X-band microwaves through the crystal structure was measured under different discharge currents and geometrical parameters. The finite-different time-domain method was employed to analyze the detailed properties of the microwaves propagation. The results show that there exist bandgaps when the plasma is turned on. The properties of bandgaps depend on the plasma density and the geometrical parameters of the PPCs structure. The PPCs can perform as dynamical band-stop filter to control the transmission of microwaves within a wide frequency range.

  8. Properties of surface modes in one dimensional plasma photonic crystals

    SciTech Connect

    Shukla, S.; Prasad, S. Singh, V.

    2015-02-15

    Properties of surface modes supported at the interface of air and a semi-infinite one dimensional plasma photonic crystal are analyzed. The surface mode equation is obtained by using transfer matrix method and applying continuity conditions of electric fields and its derivatives at the interface. It is observed that with increase in the width of cap layer, frequencies of surface modes are shifted towards lower frequency side, whereas increase in tangential component of wave-vector increases the mode frequency and total energy carried by the surface modes. With increase in plasma frequency, surface modes are found to shift towards higher frequency side. The group velocity along interface is found to control by cap layer thickness.

  9. Entanglement dynamics in one-dimensional quantum cellular automata

    SciTech Connect

    Brennen, Gavin K.; Williams, Jamie E.

    2003-10-01

    Several proposed schemes for the physical realization of a quantum computer consist of qubits arranged in a cellular array. In the quantum circuit model of quantum computation, an often complex series of two-qubit gate operations is required between arbitrarily distant pairs of lattice qubits. An alternative model of quantum computation based on quantum cellular automata (QCA) requires only homogeneous local interactions that can be implemented in parallel. This would be a huge simplification in an actual experiment. We find some minimal physical requirements for the construction of unitary QCA in a one-dimensional Ising spin chain and demonstrate optimal pulse sequences for information transport and entanglement distribution. We also introduce the theory of nonunitary QCA and show by example that nonunitary rules can generate environment assisted entanglement.

  10. Switching synchronization in one-dimensional memristive networks

    NASA Astrophysics Data System (ADS)

    Slipko, Valeriy A.; Shumovskyi, Mykola; Pershin, Yuriy V.

    2015-11-01

    We report on a switching synchronization phenomenon in one-dimensional memristive networks, which occurs when several memristive systems with different switching constants are switched from the high- to low-resistance state. Our numerical simulations show that such a collective behavior is especially pronounced when the applied voltage slightly exceeds the combined threshold voltage of memristive systems. Moreover, a finite increase in the network switching time is found compared to the average switching time of individual systems. An analytical model is presented to explain our observations. Using this model, we have derived asymptotic expressions for memory resistances at short and long times, which are in excellent agreement with results of our numerical simulations.

  11. Equilibrium properties of a one-dimensional kinetic system.

    NASA Technical Reports Server (NTRS)

    Williams, J. H.; Joyce, G.

    1973-01-01

    One-dimensional systems of N = 500 and 250 particles in equilibrium are numerically simulated utilizing the method of molecular dynamics. Periodic boundary conditions are imposed. The classical two-body interaction potential is short range, repulsive and has a corresponding finite force. The equations of state are determined for densities both less and greater than one. Corresponding theoretical isochores are determined from models based on nearest-neighbor interactions and on a truncated virial expansion, and a comparison is made with the experimental isochores. Time independent radial distributions are constructed numerically and discussed. A change of state from a solidlike state to a fluid-gas state based on the penetrability of the particles is predicted. The transition temperatures are estimated from the radial distribution functions and the nearest-neighbor model. Self-diffusion is observed and the corresponding constants are determined from the velocity autocorrelation functions.

  12. Efficient algorithm for approximating one-dimensional ground states

    SciTech Connect

    Aharonov, Dorit; Arad, Itai; Irani, Sandy

    2010-07-15

    The density-matrix renormalization-group method is very effective at finding ground states of one-dimensional (1D) quantum systems in practice, but it is a heuristic method, and there is no known proof for when it works. In this article we describe an efficient classical algorithm which provably finds a good approximation of the ground state of 1D systems under well-defined conditions. More precisely, our algorithm finds a matrix product state of bond dimension D whose energy approximates the minimal energy such states can achieve. The running time is exponential in D, and so the algorithm can be considered tractable even for D, which is logarithmic in the size of the chain. The result also implies trivially that the ground state of any local commuting Hamiltonian in 1D can be approximated efficiently; we improve this to an exact algorithm.

  13. One-dimensional quantum walk with unitary noise

    SciTech Connect

    Shapira, Daniel; Biham, Ofer; Bracken, A.J.; Hackett, Michelle

    2003-12-01

    The effect of unitary noise on the discrete one-dimensional quantum walk is studied using computer simulations. For the noiseless quantum walk, starting at the origin (n=0) at time t=0, the position distribution P{sub t}(n) at time t is very different from the Gaussian distribution obtained for the classical random walk. Furthermore, its standard deviation, {sigma}(t) scales as {sigma}(t){approx}t, unlike the classical random walk for which {sigma}(t){approx}{radical}(t). It is shown that when the quantum walk is exposed to unitary noise, it exhibits a crossover from quantum behavior for short times to classical-like behavior for long times. The crossover time is found to be T{approx}{alpha}{sup -2}, where {alpha} is the standard deviation of the noise.

  14. Majorana fermion exchange in strictly one-dimensional structures

    NASA Astrophysics Data System (ADS)

    Chiu, Ching-Kai; Vazifeh, M. M.; Franz, M.

    2015-04-01

    It is generally thought that the adiabatic exchange of two identical particles is impossible in one spatial dimension. Here we describe a simple protocol that permits the adiabatic exchange of two Majorana fermions in a one-dimensional topological superconductor wire. The exchange relies on the concept of “Majorana shuttle” whereby a π domain wall in the superconducting order parameter which hosts a pair of ancillary majoranas delivers one zero mode across the wire while the other one tunnels in the opposite direction. The method requires some tuning of parameters and does not, therefore, enjoy full topological protection. The resulting exchange statistics, however, remain non-Abelian for a wide range of parameters that characterize the exchange.

  15. Phenylthiolate as a sigma- and pi- donor ligand: synthesis of a 3-D organometallic coordination polymer [K2Fe(SPh)4]n.

    PubMed

    Yu, Xiao-Yan; Jin, Guo-Xin; Weng, Lin-Hong

    2004-07-01

    The synthesis and crystal structure of the first mixed-metal organometallic polymer network containing phenylthiolato ligands, [K2Fe(SPh)4]n, are investigated. The simple phenylthiolate acts as a sigma- and pi-donor ligand to give a 3-D potassium iron coordination polymer with both metal-carbon and metal-sulfur coordination interactions.

  16. One-dimensional cloud fluid model for propagating star formation

    NASA Technical Reports Server (NTRS)

    Titus, Timothy N.; Struck-Marcell, Curtis

    1990-01-01

    The aim of this project was to study the propagation of star formation (SF) with a self-consistent deterministic model for the interstellar gas. The questions of under what conditions does star formation propagate in this model and what are the mechanisms of the propagation are explored. Here, researchers used the deterministic Oort-type cloud fluid model of Scalo and Struck-Marcell (1984, also see the review of Struck-Marcell, Scalo and Appleton 1987). This cloud fluid approach includes simple models for the effects of cloud collisional coalescence or disruption, collisional energy dissipation, and cloud disruption and acceleration as the result of young star winds, HII regions and supernovae. An extensive one-zone parameter study is presented in Struck-Marcell and Scalo (1987). To answer the questions above, researchers carried out one-dimensional calculations for an annulus within a galactic disk, like the so-called solar neighborhood of the galactic chemical evolution. In the calculations the left-hand boundary is set equal to the right hand boundary. The calculation is obviously idealized; however, it is computationally convenient to study the first order effects of propagating star formation. The annulus was treated as if it were at rest, i.e., in the local rotating frame. This assumption may remove some interesting effects of a supersonic gas flow, but was necessary to maintain a numerical stability in the annulus. The results on the one-dimensional propagation of SF in the Oort cloud fluid model follow: (1) SF is propagated by means of hydrodynamic waves, which can be generated by external forces or by the pressure generated by local bursts. SF is not effectively propagated via diffusion or variation in cloud interaction rates without corresponding density and velocity changes. (2) The propagation and long-range effects of SF depend on how close the gas density is to the critical threshold value, i.e., on the susceptibility of the medium.

  17. Magnetic properties of manganese based one-dimensional spin chains.

    PubMed

    Asha, K S; Ranjith, K M; Yogi, Arvind; Nath, R; Mandal, Sukhendu

    2015-12-14

    We have correlated the structure-property relationship of three manganese-based inorganic-organic hybrid structures. Compound 1, [Mn2(OH-BDC)2(DMF)3] (where BDC = 1,4-benzene dicarboxylic acid and DMF = N,N'-dimethylformamide), contains Mn2O11 dimers as secondary building units (SBUs), which are connected by carboxylate anions forming Mn-O-C-O-Mn chains. Compound 2, [Mn2(BDC)2(DMF)2], contains Mn4O20 clusters as SBUs, which also form Mn-O-C-O-Mn chains. In compound 3, [Mn3(BDC)3(DEF)2] (where DEF = N,N'-diethylformamide), the distorted MnO6 octahedra are linked to form a one-dimensional chain with Mn-O-Mn connectivity. The magnetic properties were investigated by means of magnetization and heat capacity measurements. The temperature dependent magnetic susceptibility of all the three compounds could be nicely fitted using a one-dimensional S = 5/2 Heisenberg antiferromagnetic chain model and the value of intra-chain exchange coupling (J/k(B)) between Mn(2+) ions was estimated to be ∼1.1 K, ∼0.7 K, and ∼0.46 K for compounds 1, 2, and 3, respectively. Compound 1 does not undergo any magnetic long-range-order down to 2 K while compounds 2 and 3 undergo long-range magnetic order at T(N) ≈ 4.2 K and ≈4.3 K, respectively, which are of spin-glass type. From the values of J/k(B) and T(N) the inter-chain coupling (J(⊥)/k(B)) was calculated to be about 0.1J/k(B) for both compounds 2 and 3, respectively.

  18. Magnetic properties of manganese based one-dimensional spin chains.

    PubMed

    Asha, K S; Ranjith, K M; Yogi, Arvind; Nath, R; Mandal, Sukhendu

    2015-12-14

    We have correlated the structure-property relationship of three manganese-based inorganic-organic hybrid structures. Compound 1, [Mn2(OH-BDC)2(DMF)3] (where BDC = 1,4-benzene dicarboxylic acid and DMF = N,N'-dimethylformamide), contains Mn2O11 dimers as secondary building units (SBUs), which are connected by carboxylate anions forming Mn-O-C-O-Mn chains. Compound 2, [Mn2(BDC)2(DMF)2], contains Mn4O20 clusters as SBUs, which also form Mn-O-C-O-Mn chains. In compound 3, [Mn3(BDC)3(DEF)2] (where DEF = N,N'-diethylformamide), the distorted MnO6 octahedra are linked to form a one-dimensional chain with Mn-O-Mn connectivity. The magnetic properties were investigated by means of magnetization and heat capacity measurements. The temperature dependent magnetic susceptibility of all the three compounds could be nicely fitted using a one-dimensional S = 5/2 Heisenberg antiferromagnetic chain model and the value of intra-chain exchange coupling (J/k(B)) between Mn(2+) ions was estimated to be ∼1.1 K, ∼0.7 K, and ∼0.46 K for compounds 1, 2, and 3, respectively. Compound 1 does not undergo any magnetic long-range-order down to 2 K while compounds 2 and 3 undergo long-range magnetic order at T(N) ≈ 4.2 K and ≈4.3 K, respectively, which are of spin-glass type. From the values of J/k(B) and T(N) the inter-chain coupling (J(⊥)/k(B)) was calculated to be about 0.1J/k(B) for both compounds 2 and 3, respectively. PMID:26455515

  19. Bjorken flow in one-dimensional relativistic magnetohydrodynamics with magnetization

    NASA Astrophysics Data System (ADS)

    Pu, Shi; Roy, Victor; Rezzolla, Luciano; Rischke, Dirk H.

    2016-04-01

    We study the one-dimensional, longitudinally boost-invariant motion of an ideal fluid with infinite conductivity in the presence of a transverse magnetic field, i.e., in the ideal transverse magnetohydrodynamical limit. In an extension of our previous work Roy et al., [Phys. Lett. B 750, 45 (2015)], we consider the fluid to have a nonzero magnetization. First, we assume a constant magnetic susceptibility χm and consider an ultrarelativistic ideal gas equation of state. For a paramagnetic fluid (i.e., with χm>0 ), the decay of the energy density slows down since the fluid gains energy from the magnetic field. For a diamagnetic fluid (i.e., with χm<0 ), the energy density decays faster because it feeds energy into the magnetic field. Furthermore, when the magnetic field is taken to be external and to decay in proper time τ with a power law ˜τ-a, two distinct solutions can be found depending on the values of a and χm. Finally, we also solve the ideal magnetohydrodynamical equations for one-dimensional Bjorken flow with a temperature-dependent magnetic susceptibility and a realistic equation of state given by lattice-QCD data. We find that the temperature and energy density decay more slowly because of the nonvanishing magnetization. For values of the magnetic field typical for heavy-ion collisions, this effect is, however, rather small. It is only for magnetic fields about an order of magnitude larger than expected for heavy-ion collisions that the system is substantially reheated and the lifetime of the quark phase might be extended.

  20. Enantioselective recognition and separation of racemic 1-phenylethanol by a pair of 2D chiral coordination polymers.

    PubMed

    Li, Zi-Jian; Yao, Jia; Tao, Qian; Jiang, Long; Lu, Tong-Bu

    2013-10-21

    A pair of 2D chiral coordination polymers were constructed through the self-assembly of a chiral metal-camphor-10-sulfonate salt and a bidentate linker, which show selective inclusion of S and R enantiomers of 1-phenylethanol respectively with an enantioselectivity of 9:1. PMID:24083956

  1. A 2D cobalt based coordination polymer constructed from benzimidazole and acetate ion exhibiting spin-canted antiferromagnetism.

    PubMed

    Arai, Leo; Nadeem, Muhammad Arif; Bhadbhade, Mohan; Stride, John Arron

    2010-04-14

    A coordination polymer, [Co(II)(bIM)(acetate)] (bIM = benzimidazole) was synthesized using a solvothermal method; the complex has a two dimensional non-interpenetrated network structure and exhibits a spin-canted antiferromagnetic behaviour at low temperature and a high coercive field.

  2. Nucleotide/Tb³⁺ coordination polymer nanoparticles as luminescent sensor and scavenger for nitrite ion.

    PubMed

    Qi, Zewan; You, Qi; Chen, Yang

    2016-01-01

    Newly emerged metal organic coordination polymers have aroused the great interest in designing tailored functional materials. In this study, multiple functional components, luminescent Tb(3+) ion, nucleobase and antenna molecule, were integrated in a single material and prepared into a responsive nanoparticle for nitrite. The terbium coordination polymer nanoparticles made of this kind of material have the dual functions of recognition and transduction and obey a preset sensing mechanism without a post-functionalization of common materials. As the result of the tailored, the terbium coordination polymer nanoparticles are highly sensitive and selective to nitrite by means of Dexter energy transfer between Tb(3+) ion and nitrite, and can be used for the scavenger for nitrite in aqueous solution. The detection limit, dynamic range and removal capacity of U-Tb-OBBA CPNPs for nitrite are 0.3 µM, 0.3-470 µM and 4.44 mg per gram of particles, respectively. Metal organic coordination polymers show an attractive potential in constructing smart sensing materials.

  3. Hydrothermal reactions: From the synthesis of ligand to new lanthanide 3D-coordination polymers

    SciTech Connect

    Silva, Fausthon Fred da; Fernandes de Oliveira, Carlos Alberto; Lago Falcão, Eduardo Henrique; Gatto, Claudia Cristina; Bezerra da Costa, Nivan; Oliveira Freire, Ricardo; Chojnacki, Jarosław; Alves Júnior, Severino

    2013-11-15

    The organic ligand 2,5-piperazinedione-1,4-diacetic acid (H{sub 2}PDA) was synthesized under hydrothermal conditions starting from the iminodiacetic acid and catalyzed by oxalic acid. The X-ray powder diffraction data indicates that the compound crystallizes in the P2{sub 1}/c monoclinic system as reported in the literature. The ligand was also characterized by elemental analysis, magnetic nuclear resonance, infrared spectroscopy and thermogravimetric analysis. Two new coordination networks based on lanthanide ions were obtained with this ligand using hydrothermal reaction. In addition to single-crystal X-ray diffraction, the compounds were characterized by infrared spectroscopy, thermogravimetric analysis, scanning electron microscopy and elemental analysis. Single-crystal XRD showed that the compounds are isostructural, crystallizing in P2{sub 1}/n monoclinic system with chemical formula [Ln(PDA){sub 1.5}(H{sub 2}O)](H{sub 2}O){sub 3} (Ln=Gd{sup 3+}(1) and Eu{sup 3+}(2)).The luminescence properties of both compounds were studied. In the compound (1), a broad emission band was observed at 479 nm, redshifted by 70 nm in comparison of the free ligand. In (2), the typical f–f transition was observed with a maximum peak at 618 nm, related with the red emission of the europium ions. Computational methods were performed to simulate the crystal structure of (2). The theoretical calculations of the intensity parameters are in good agreement with the experimental values. - Graphical abstract: Scheme of obtaining the ligand 2,5-piperazinedione-1,4-diacetic acid (H{sub 2}PDA) and two new isostructural 3D-coordination polymers [Ln(PDA){sub 1.5}(H{sub 2}O)](H{sub 2}O){sub 3} (Ln=Gd{sup 3+} and Eu{sup 3+}) by hydrothermal synthesis. Display Omitted - Highlights: • The ligand 2,5-piperazinedione-1,4-diacetic acid was synthetized using the hydrothermic method and characterized. • Two new 3D-coordination polymers with this ligand containing Gd{sup 3+} and Eu{sup 3+} ions

  4. Studies of the structural and magnetic properties of an unsymmetrical ligand 1,2,4-benzenetricarboxylic acid based chiral 3-D trinickel coordination polymer as an alkali base-influenced hydrothermal reaction product

    SciTech Connect

    Peng, Yi-Ru; Chien, Po-Hsiu; Chung, Huey-Ting; Pan, Pei-Yun; Liu, Yen-Hsiang Yang, En-Che

    2014-04-01

    The reaction of 1,2,4-benzenetricarboxylic acid (H{sub 3}btc), as a ligand, under pH-controlled hydrothermal conditions with nickel salts leads to the formation of a coordination polymer of (CsNi{sub 3}(OH)(H{sub 2}O){sub 3}[C{sub 6}H{sub 3}(CO{sub 2}){sub 3}]{sub 2}·3H{sub 2}O){sub n} (1). The subunit of compound 1 contains a hydroxide- and carboxylate-bridged trinickel clusters that are linked by an unsymmetrical organic carboxylate spacer to form a chiral three-dimensional anionic framework, in which cesium cations and guest water molecules are located in one-dimensional channels. The presence of a hydroxide ion serves both as a deprotonation agent and a cation source during the hydrothermal reaction, thus permitting the extent of deprotonation of the unsymmetrical ligand H{sub 3}btc to be controlled, which is essential for the successful formation of compound 1. The magnetic properties of compound 1 were analyzed. Both dc and ac magnetic susceptibility as well as reduced magnetization measurements confirmed the spin-frustration nature of 1. - Graphical abstract: A chiral three-dimension MOF compound and its magnetic properties are described. - Highlights: • A new chiral three-dimension coordination polymer were made. • An un-symmetric bridging ligand was used. • Alkali metal ion Cs{sup +} was incorporated in the structure. • Magnetic properties were studied.

  5. A set of alkali and alkaline-earth coordination polymers based on the ligand 2-(1H-benzotriazol-1-yl) acetic acid: Effects the radius of metal ions on structures and properties

    SciTech Connect

    Wang, Jin-Hua; Tang, Gui-Mei; Qin, Ting-Xiao; Yan, Shi-Chen; Wang, Yong-Tao; Cui, Yue-Zhi; Weng Ng, Seik

    2014-11-15

    Four new metal coordination complexes, namely, [Na(BTA)]{sub n} (1), [K{sub 2}(BTA){sub 2}(μ{sub 2}-H{sub 2}O)]{sub n} (2), and [M(BTA){sub 2}(H{sub 2}O){sub 2}]{sub n} (M=Ca(II) and Sr(II) for 3 and 4, respectively) [BTA=2-(1H-benzotriazol-1-yl) acetic anion], have been obtained under hydrothermal condition, by reacting the different alkali and alkaline-earth metal hydroxides with HBTA. Complexes 1–4 were structurally characterized by X-ray single-crystal diffraction, EA, IR, PXRD, and thermogravimetry analysis (TGA). These complexes display low-dimensional features displaying various two-dimensional (2D) and one-dimensional (1D) coordination motifs. Complex 1 displays a 2D layer with the thickness of 1.5 nm and possesses a topologic structure of a 11 nodal net with Schläfli symbol of (3{sup 18}). Complex 2 also shows a thick 2D sheet and its topologic structure is a 9 nodes with Schläfli symbol of (3{sup 11}×4{sup 2}). Complexes 3 and 4 possess a 1D linear chain and further stack via hydrogen bonding interactions to generate a three-dimensional supramolecular architecture. These results suggest that both the coordination preferences of the metal ions and the versatile nature of this flexible ligand play a critical role in the final structures. The luminescent spectra show strong emission intensities in complexes 1–4, which display violet photoluminescence. Additionally, ferroelectric, dielectric and nonlinear optic (NLO) second-harmonic generation (SHG) properties of 2 are discussed in detail. - Graphical abstract: A set of alkali and alkaline-earth metal coordination polymers were hydrothermally synthesized by 2-(1H-benzotriazol-1-yl)acetic acid, displaying interesting topologic motifs from two-dimension to one-dimension and specific physical properties. - Highlights: • Alkali and alkaline-earth metal coordination polymers have been obtained. • The ligand 2-(1H-benzotriazol-1-yl)acetic acid has been adopted. • The two-dimensional and one-dimensional

  6. Ion conductivity and transport by porous coordination polymers and metal-organic frameworks.

    PubMed

    Horike, Satoshi; Umeyama, Daiki; Kitagawa, Susumu

    2013-11-19

    Ion conduction and transport in solids are both interesting and useful and are found in widely distinct materials, from those in battery-related technologies to those in biological systems. Scientists have approached the synthesis of ion-conductive compounds in a variety of ways, in the areas of organic and inorganic chemistry. Recently, based on their ion-conducting behavior, porous coordination polymers (PCPs) and metal-organic frameworks (MOFs) have been recognized for their easy design and the dynamic behavior of the ionic components in the structures. These PCP/MOFs consist of metal ions (or clusters) and organic ligands structured via coordination bonds. They could have highly concentrated mobile ions with dynamic behavior, and their characteristics have inspired the design of a new class of ion conductors and transporters. In this Account, we describe the state-of-the-art of studies of ion conductivity by PCP/MOFs and nonporous coordination polymers (CPs) and offer future perspectives. PCP/MOF structures tend to have high hydrophilicity and guest-accessible voids, and scientists have reported many water-mediated proton (H(+)) conductivities. Chemical modification of organic ligands can change the hydrated H(+) conductivity over a wide range. On the other hand, the designable structures also permit water-free (anhydrous) H(+) conductivity. The incorporation of protic guests such as imidazole and 1,2,4-triazole into the microchannels of PCP/MOFs promotes the dynamic motion of guest molecules, resulting in high H(+) conduction without water. Not only the host-guest systems, but the embedding of protic organic groups on CPs also results in inherent H(+) conductivity. We have observed high H(+) conductivities under anhydrous conditions and in the intermediate temperature region of organic and inorganic conductors. The keys to successful construction are highly mobile ionic species and appropriate intervals of ion-hopping sites in the structures. Lithium (Li

  7. Redox-active porous coordination polymer based on trinuclear pivalate: Temperature-dependent crystal rearrangement and redox-behavior

    SciTech Connect

    Lytvynenko, Anton S.; Kiskin, Mikhail A.; Dorofeeva, Victoria N.; Mishura, Andrey M.; Titov, Vladimir E.; Kolotilov, Sergey V.; Eremenko, Igor L.; Novotortsev, Vladimir M.

    2015-03-15

    Linking of trinuclear pivalate Fe{sub 2}NiO(Piv){sub 6} (Piv=O{sub 2}CC(CH{sub 3}){sub 3}) by 2,6-bis(4-pyridyl)-4-(1-naphthyl)pyridine (L) resulted in formation of 1D-porous coordination polymer Fe{sub 2}NiO(Piv){sub 6}(L)·Solv, which was characterized in two forms: DMSO solvate Fe{sub 2}NiO(Piv){sub 6}(L)(DMSO)·2.5DMSO (1) or water solvate Fe{sub 2}NiO(Piv){sub 6}(L)(H{sub 2}O) (2). X-ray structure of 1 was determined. Crystal lattice of 1 at 160 K contained open channels, filled by captured solvent, while temperature growth to 296 K led to the crystal lattice rearrangement and formation of closed voids. Redox-behavior of 2 was studied by cyclic voltammetry for a solid compound, deposited on glassy-carbon electrode. Redox-activity of L preserved upon incorporation in the coordination polymer. The presence of pores in desolvated sample Fe{sub 2}NiO(Piv){sub 6}(L) was confirmed by the measurements of N{sub 2} and H{sub 2} adsorption at 77 K. Potential barriers of the different molecules diffusion through pores were estimated by the means of molecular mechanics. - Graphical abstract: Redox-behavior of 1D-porous coordination polymer Fe{sub 2}NiO(Piv){sub 6}(L)(H{sub 2}O) was studied by cyclic voltammetry in thin film, deposited on glassy-carbon electrode. Redox-activity of L preserved upon incorporation in the coordination polymer. Potential barriers of different molecules diffusion through pores were estimated by the means of molecular mechanics. - Highlights: • Porous 1D coordination polymer was synthesized. • Temperature growth led to pores closing due to crystal lattice rearrangement. • Redox-activity of ligand preserved upon incorporation into coordination polymer. • Redox-properties of solid coordination polymer were studied in thin film. • Diffusion barriers were evaluated by molecular mechanics.

  8. Complementary in situ reactivity of isomeric dipyridylamide precursors and its effect on dimensionality of cadmium 5-nitroisophthalate coordination polymers

    NASA Astrophysics Data System (ADS)

    O'Donovan, Megan E.; LaDuca, Robert L.

    2014-07-01

    Hydrothermal treatment of cadmium nitrate, 5-nitroisophthalic acid (H2nip) and one of two isomeric dipyridylamides resulted in coordination polymer crystalline solids that manifested different in situ reactivity and dimensionality, as ascertained by single crystal X-ray diffraction. Hydrolysis of 3-pyridylisonicotinamide (3-pina) afforded the 3-aminopyridine (3-ampyr) ligands observed in the 1-D ladder polymer {[Cd(nip)(3-ampyr)(H2O)]ṡ2H2O}n (1). Conversely, hydrolysis of the isomeric precursor 3-pyridylnicotinamide (3-pna) generated the monoanionic nicotinate ligands in the 2-D coordination polymer [Cd2(nip)(nic)2(H2O)2]n (2). Compound 2 displays {Cd2(OCO)2} eight-membered ring dimeric units linked into (6,3) graphite-type slab motifs. Luminescent properties of these two new materials are also presented.

  9. Hydrothermal Crystallization of Uranyl Coordination Polymers Involving an Imidazolium Dicarboxylate Ligand: Effect of pH on the Nuclearity of Uranyl-Centered Subunits.

    PubMed

    Martin, Nicolas P; Falaise, Clément; Volkringer, Christophe; Henry, Natacha; Farger, Pierre; Falk, Camille; Delahaye, Emilie; Rabu, Pierre; Loiseau, Thierry

    2016-09-01

    Four uranyl-bearing coordination polymers (1-4) have been hydrothermally synthesized in the presence of the zwitterionic 1,3-bis(carboxymethyl)imidazolium (= imdc) anion as organic linkers after reaction at 150 °C. At low pH (0.8-3.1), the form 1 ((UO2)2(imdc)2(ox)·3H2O; ox stands for oxalate group) has been identified. Its crystal structure (XRD analysis) consists of the 8-fold-coordinated uranyl centers linked to each other through the imdc ligand together with oxalate species coming from the partial decomposition of the imdc molecule. The resulting structure is based on one-dimensional infinite ribbons intercalated by free water molecules. By adding NaOH solution, a second form 2 is observed for pH 1.9-3.9 but in a mixture with phase 1. The pure phase of 2 is obtained after a hydrothermal treatment at 120 °C. It corresponds to a double-layered network (UO2(imdc)2) composed of 7-fold-coordinated uranyl cations linked via the imdc ligands. In the same pH range, a third phase ((UO2)3O2(H2O)(imdc)·H2O, 3) is formed: it is composed of hexanuclear units of 7-fold- and 8-fold-coordinated uranyl cations, connected via the imdc molecules in a layered assembly. At higher pH, the chain-like solid (UO2)3O(OH)3(imdc)·2H2O (4) is observed and composed of the infinite edge-sharing uranyl-centered pentagonal bipyramidal polyhedra. As a function of pH, uranyl nuclearity increases from discrete 8- or 7-fold uranyl centers (1, 2) to hexanuclear bricks (3) and then infinite chains in 4 (built up from the hexameric fragments found in 3). This observation emphasized the influence of the hydrolysis reaction occurring between uranyl centers. The compounds have been further characterized by thermogravimetric analysis, infrared, and luminescence spectroscopy. PMID:27509393

  10. Bringing an "old" biological buffer to coordination chemistry: new 1D and 3D coordination polymers with [Cu(4)(Hbes)(4)] cores for mild hydrocarboxylation of alkanes.

    PubMed

    Kirillov, Alexander M; Coelho, Jaime A S; Kirillova, Marina V; da Silva, M Fátima C Guedes; Nesterov, Dmytro S; Gruenwald, Katrin R; Haukka, Matti; Pombeiro, Armando J L

    2010-07-19

    New water-soluble 1D and 3D Cu(II)/Na coordination polymers 1-3 bearing unprecedented [Cu(4)(Hbes)(4)] cores have been easily generated by aqueous-medium self-assembly and fully characterized, thus opening up the use of the common biological buffer H(3)bes, (HO(3)SCH(2)CH(2))N(CH(2)CH(2)OH)(2), in synthetic coordination chemistry. Apart from representing the first isolated and structurally characterized coordination compounds derived from H(3)bes, 1-3 show a remarkable promoting effect in the mild aqueous-medium hydrocarboxylation, by CO and H(2)O, of gaseous alkanes (C(3)H(8) and n-C(4)H(10)) to the corresponding carboxylic acids, which are obtained in up to 95% yields based on the alkane.

  11. Synthesis, crystal structures and characterization of four coordination polymers based on 5-amino-2,4,6-triiodoisophthalic acid

    SciTech Connect

    Zhang Koulin; Chang Yan; Zhang Jingbo; Yuan Limin; Deng Ye; Diao Guowang; Ng, Seik Weng

    2011-05-15

    One homochiral 1D coordination polymer [Cu(ATIBDC)(2,2'-bipy)].3H{sub 2}O.CH{sub 3}OH (1) and three achiral 1D coordination polymers: [Cd(ATIBDC)(2,2'-bipy)(H{sub 2}O)].3H{sub 2}O (2), [Cd(ATIBDC)(phen)(H{sub 2}O)].4H{sub 2}O (3), and [Mn(ATIBDC)(phen){sub 2}].5H{sub 2}O (4) have been synthesized and characterized (H{sub 2}ATIBDC=5-amino-2,4,6-triiodoisophthalic acid, 2,2'-bipy=2,2'-bipyridine, and phen=1,10-phenanthroline). Extended high dimensional network architectures are further constructed with the help of weak secondary interactions, such as hydrogen bonding, aromatic stacking, and halogen bonding (C-I..{pi} and C-I...N/O). Complex 1 crystallizes in the monoclinic system with chiral space group P2(1) and exhibits a right-handed 2{sub 1} helical chain structure. The homochirality of 1 was confirmed by CD spectrum. Interestingly, two new configurations of decameric water cluster are found in 3 and 4. The acyclic tetrameric cluster (H{sub 2}O){sub 3}(CH{sub 3}OH) in 1 and (H{sub 2}O){sub 4} in 2 array into highly ordered helical infinite chains. Thermal stabilities of all the complexes have been studied. Solid state fluorescent properties of the Cd(II) complexes have been explored. -- Graphical abstract: The synthesis, crystal structures and characterization of one 1D homochiral coordination polymer and three achiral 1D coordination polymers with 5-amino-2,4,6-triiodoisophthalic acid (H{sub 2}ATIBDC) are reported. Display Omitted highlights: > Four 1D coordination polymers with 5-amino-2,4,6-triiodoisophthalate are reported. > The halogen bonds play important roles in the supramolecular assembly. > Solid state fluorescent properties of the Cd(II) complexes are explored.

  12. Single-Crystal-to-Single-Crystal Transformations in One Dimensional Ag-Eu Helical System

    SciTech Connect

    Cai, Yue-Peng; Zhout, Xiu-Xia; Zhout, Zheng-Yuan; Zhu, Shi-Zheng; Thallapally, Praveen K.; Liu, Jun

    2009-07-06

    Single-crystal-to-single-crystal transformation of 1-D 4d-4f coordination polymers have been investigated for the first time. It displays high selectivity for Mg2+ and can be used as magnesium ion-selective luminescent probe. More importantly, we observed the transformation of meso-helical chain to rac-helical chain as a function of temperature.

  13. An adaptive grid algorithm for one-dimensional nonlinear equations

    NASA Technical Reports Server (NTRS)

    Gutierrez, William E.; Hills, Richard G.

    1990-01-01

    Richards' equation, which models the flow of liquid through unsaturated porous media, is highly nonlinear and difficult to solve. Step gradients in the field variables require the use of fine grids and small time step sizes. The numerical instabilities caused by the nonlinearities often require the use of iterative methods such as Picard or Newton interation. These difficulties result in large CPU requirements in solving Richards equation. With this in mind, adaptive and multigrid methods are investigated for use with nonlinear equations such as Richards' equation. Attention is focused on one-dimensional transient problems. To investigate the use of multigrid and adaptive grid methods, a series of problems are studied. First, a multigrid program is developed and used to solve an ordinary differential equation, demonstrating the efficiency with which low and high frequency errors are smoothed out. The multigrid algorithm and an adaptive grid algorithm is used to solve one-dimensional transient partial differential equations, such as the diffusive and convective-diffusion equations. The performance of these programs are compared to that of the Gauss-Seidel and tridiagonal methods. The adaptive and multigrid schemes outperformed the Gauss-Seidel algorithm, but were not as fast as the tridiagonal method. The adaptive grid scheme solved the problems slightly faster than the multigrid method. To solve nonlinear problems, Picard iterations are introduced into the adaptive grid and tridiagonal methods. Burgers' equation is used as a test problem for the two algorithms. Both methods obtain solutions of comparable accuracy for similar time increments. For the Burgers' equation, the adaptive grid method finds the solution approximately three times faster than the tridiagonal method. Finally, both schemes are used to solve the water content formulation of the Richards' equation. For this problem, the adaptive grid method obtains a more accurate solution in fewer work units and

  14. Progress on one-dimensional zinc oxide nanomaterials based photonic devices

    NASA Astrophysics Data System (ADS)

    Willander, Magnus; Israr, Muhammad Q.; Sadaf, Jamil R.; Nur, Omer

    2012-07-01

    One-dimensional nanostructures hold the most attractive and excellent physiochemical characteristics which exhibit the paramount influence on the fundamental and technological nanoelectronic as well as nanophotonic applications. In this review article, we present a detailed introduction to the diverse synthetic procedures which can be utilized for the fabrication of single-, planar- and three-dimensional ZnO nanostructures. More specifically, a thorough discussion regarding luminescence characteristics of the one-dimensional ZnO nanostructures is presented for ultraviolet and visible regions. We summarize the room temperature spontaneous emission and stimulated emission along with the interaction of the incident beam with material cavity to produce resonant optical modes and low-temperature time resolved photoluminescence studies. The most recent published results on the white light emitting diodes fabricated with the combination of ZnO nanotubes with p-GaN and ZnO nanorods with p-organic polymers on glass and disposable paper are discussed. Additionally, the significant results on optically and electrically pumped lasers are discussed; along with an overview on the future of ZnO nanostructures based photonic devices.

  15. One-dimensional free-energy profiles of complex systems: progress variables that preserve the barriers.

    PubMed

    Krivov, Sergei V; Karplus, Martin

    2006-06-29

    We show that the balanced minimum-cut procedure introduced in PNAS 2004, 101, 14766 can be reinterpreted as a method for solving the constrained optimization problem of finding the minimum cut among the cuts with a particular value of an additive function of the nodes on either side of the cut. Such an additive function (e.g., the partition function of the reactant region) can be used as a progress coordinate to determine a one-dimensional profile (FEP) of the free-energy surface of the protein-folding reaction as well as other complex reactions. The algorithm is based on the network (obtained from an equilibrium molecular dynamics simulation) that represents the calculated reaction behavior. The resulting FEP gives the exact values of the free energy as a function of the progress coordinate; i.e., at each value of the progress coordinate, the profile is obtained from the surface with the minimal partition function among the surfaces that divide the full free-energy surface between two chosen end points. In many cases, the balanced minimum-cut procedure gives results for only a limited set of points. An approximate method based on p(fold) is shown to provide the profile for a more complete set of values of the progress coordinate. Applications of the approach to model problems and to realistic systems (beta-hairpin of protein G, LJ38 cluster) are presented. PMID:16800603

  16. Syntheses, structures and luminescence properties of lanthanide coordination polymers with helical character

    SciTech Connect

    Zhou Ruisha; Cui Xiaobing; Song Jiangfeng; Xu Xiaoyu; Xu Jiqing Wang Tiegang

    2008-08-15

    A series of lanthanide coordination polymers, (Him){sub n}[Ln(ip){sub 2}(H{sub 2}O)]{sub n} [Ln=La(1), Pr(2), Nd(3) and Dy(4), H{sub 2}ip=isophthalic acid, im=imidazole] and [Y{sub 2}(ip){sub 3}(H{sub 2}O){sub 2}]{sub n}.nH{sub 2}O (5), have been synthesized and characterized by elemental analyses, infrared (IR), ultraviolet-visible-near infrared (UV-Vis-NIR) and single-crystal X-ray diffraction analyses. The isostructural compounds 1-4 possess 3-D structures with three different kinds of channels. Compound 5 features a 2-D network making of two different kinds of quadruple-helical chains. Compounds 2 and 3 present the characteristic emissions of Pr(III) and Nd(III) ions in NIR region, respectively. Compound 4 shows sensitized luminescence of Dy(III) ions in visible region. - Graphical abstract: A series of lanthanide coodination polymers, (Him){sub n}[Ln(ip){sub 2}(H{sub 2}O)]{sub n} [Ln=La(1), Pr(2), Nd(3) and Dy(4)] and [Y{sub 2}(ip){sub 3}(H{sub 2}O){sub 2}]{sub n}.nH{sub 2}O (5), have been reported. The isostructural compounds 1-4 possess 3-D structures with three different kinds of channels. Compound 5 displays a 2-D network making of two kinds of quadruple-helical chains. Display Omitted.

  17. Synthesis and structural characterization of silver(I), copper(I) coordination polymers and a helicate palladium(II) complex of dipyrrolylmethane-based dipyrazole ligands: the effect of meso substituents on structural formation.

    PubMed

    Guchhait, Tapas; Barua, Bhagyasree; Biswas, Aritra; Basak, Biswanath; Mani, Ganesan

    2015-05-21

    A new class of multidentate dipyrrolylmethane based ditopic tecton, 1,9-bis(3,5-dimethylpyrazolylmethyl)dipyrrolylmethane, containing diethyl (L1) or cyclohexylidene (L2) substituents at the meso carbon atom were readily synthesized in 28-45% yields in two different ways starting from dipyrrolylmethanes. A one dimensional coordination polymer structure ([(L2)Ag][BF4])n was obtained when L2 was treated with AgBF4, whereas the analogous reaction between L1 and AgBF4 afforded the dicationic binuclear metallacycle complex [(L1)2Ag2][BF4]2. In addition, yet another coordination polymeric structure [(L1)CuI]n was obtained from the reaction between L1 and CuI. The analogous reaction of L1 with [Pd(PhCN)2Cl2] afforded the binuclear palladium complex [(L1)2Pd2Cl4] having a double-stranded helicate structure. The observed structural differences are attributed to the effects of the substituents present at the meso carbon atom of the ligand, in addition to the nature of the metal centre, coordination number and the preferred geometry.

  18. A Smart Colorful Supercapacitor with One Dimensional Photonic Crystals.

    PubMed

    Liu, Cihui; Liu, Xing; Xuan, Hongyun; Ren, Jiaoyu; Ge, Liqin

    2015-01-01

    To meet the pressing demands for portable and flexible equipment in contemporary society, developing flexible, lightweight, and sustainable supercapacitor systems with large power densities, long cycle life, and ease of strongly required. However, estimating the state-of-charge of existing supercapacitors is difficult, and thus their service life is limited. In this study, we fabricate a flexible color indicative supercapacitor device with mesoporous polyaniline (mPANI)/Poly(N-Isopropyl acrylamide-Graphene Oxide-Acrylic Acid) (P(NiPPAm-GO-AA)) one dimensional photonic crystals (1DPCs) as the electrode material through a low-cost, eco-friendly, and scalable fabrication process. We found that the state-of-charge could be monitored by the structural color oscillation due to the change in the photonic band gap position of the 1DPCs. The flexible 1DPCs supercapacitor is thin at 3 mm and exhibits good specific capacitance of 22.6 F g(-1) with retention of 91.1% after 3,000 cycles. This study shows the application of the 1DPCs supercapacitor as a visual ultrathin power source. The technology may find many applications in future wearable electronics. PMID:26689375

  19. Dynamic response of one-dimensional bosons in a trap

    SciTech Connect

    Golovach, Vitaly N.; Minguzzi, Anna; Glazman, Leonid I.

    2009-10-15

    We calculate the dynamic structure factor S(q,{omega}) of a one-dimensional (1D) interacting Bose gas confined in a harmonic trap. The effective interaction depends on the strength of the confinement enforcing the (1D) motion of atoms; interaction may be further enhanced by superimposing an optical lattice on the trap potential. In the compressible state, we find that the smooth variation in the gas density around the trap center leads to softening of the singular behavior of S(q,{omega}) at the first Lieb excitation mode compared to the behavior predicted for homogeneous 1D systems. Nevertheless, the density-averaged response S(q,{omega}) remains a nonanalytic function of q and {omega} at the first Lieb excitation mode in the limit of weak trap confinement. The exponent of the power-law nonanalyticity is modified due to the inhomogeneity in a universal way and thus bears unambiguously the information about the (homogeneous) Lieb-Liniger model. A strong optical lattice causes formation of Mott phases. Deep in the Mott regime, we predict a semicircular peak in S(q,{omega}) centered at the on-site repulsion energy, {omega}=U. Similar peaks of smaller amplitudes exist at multiples of U as well. We explain the suppression of the dynamic response with entering into the Mott regime, observed recently by Clement et al. [Phys. Rev. Lett. 102, 155301 (2009)], based on an f-sum rule for the Bose-Hubbard model.

  20. Thermal transport in disordered one-dimensional spin chains

    NASA Astrophysics Data System (ADS)

    Poboiko, Igor; Feigel'man, Mikhail

    2015-12-01

    We study a one-dimensional anisotropic XXZ Heisenberg spin-1/2 chain with weak random fields hizSiz by means of Jordan-Wigner transformation to spinless Luttinger liquid with disorder and bosonization technique. First, we reinvestigate the phase diagram of the system in terms of dimensionless disorder γ =

    /J2≪1 and anisotropy parameter Δ =Jz/Jx y , we find the range of these parameters where disorder is irrelevant in the infrared limit and spin-spin correlations are described by power laws, and compare it with previously obtained numerical and analytical results. Then we use the diagram technique in terms of plasmon excitations to study the low-temperature (T ≪J ) behavior of heat conductivity κ and spin conductivity σ in this power-law phase. The obtained Lorentz number L ≡κ /σ T differs from the value derived earlier by means of the memory function method. We argue also that in the studied region inelastic scattering is strong enough to suppress quantum interference in the low-temperature limit.

  1. Digital noise generators using one-dimensional chaotic maps

    SciTech Connect

    Martínez-Ñonthe, J. A; Palacios-Luengas, L.; Cruz-Irisson, M.; Vazquez Medina, R.; Díaz Méndez, J. A.

    2014-05-15

    This work shows how to improve the statistical distribution of signals produced by digital noise generators designed with one-dimensional (1-D) chaotic maps. It also shows that in a digital electronic design the piecewise linear chaotic maps (PWLCM) should be considered because they do not have stability islands in its chaotic behavior region, as it occurs in the case of the logistic map, which is commonly used to build noise generators. The design and implementation problems of the digital noise generators are analyzed and a solution is proposed. This solution relates the output of PWLCM, usually defined in the real numbers' domain, with a codebook of S elements, previously defined. The proposed solution scheme produces digital noise signals with a statistical distribution close to a uniform distribution. Finally, this work shows that it is possible to have control over the statistical distribution of the noise signal by selecting the control parameter of the PWLCM and using, as a design criterion, the bifurcation diagram.

  2. Characterization of Thermal Transport in One-dimensional Solid Materials.

    PubMed

    Liu, Guoqing; Lin, Huan; Tang, Xiaoduan; Bergler, Kevin; Wang, Xinwei

    2014-01-01

    The TET (transient electro-thermal) technique is an effective approach developed to measure the thermal diffusivity of solid materials, including conductive, semi-conductive or nonconductive one-dimensional structures. This technique broadens the measurement scope of materials (conductive and nonconductive) and improves the accuracy and stability. If the sample (especially biomaterials, such as human head hair, spider silk, and silkworm silk) is not conductive, it will be coated with a gold layer to make it electronically conductive. The effect of parasitic conduction and radiative losses on the thermal diffusivity can be subtracted during data processing. Then the real thermal conductivity can be calculated with the given value of volume-based specific heat (ρcp), which can be obtained from calibration, noncontact photo-thermal technique or measuring the density and specific heat separately. In this work, human head hair samples are used to show how to set up the experiment, process the experimental data, and subtract the effect of parasitic conduction and radiative losses. PMID:24514072

  3. Characterization of Thermal Transport in One-dimensional Solid Materials

    PubMed Central

    Liu, Guoqing; Lin, Huan; Tang, Xiaoduan; Bergler, Kevin; Wang, Xinwei

    2014-01-01

    The TET (transient electro-thermal) technique is an effective approach developed to measure the thermal diffusivity of solid materials, including conductive, semi-conductive or nonconductive one-dimensional structures. This technique broadens the measurement scope of materials (conductive and nonconductive) and improves the accuracy and stability. If the sample (especially biomaterials, such as human head hair, spider silk, and silkworm silk) is not conductive, it will be coated with a gold layer to make it electronically conductive. The effect of parasitic conduction and radiative losses on the thermal diffusivity can be subtracted during data processing. Then the real thermal conductivity can be calculated with the given value of volume-based specific heat (ρcp), which can be obtained from calibration, noncontact photo-thermal technique or measuring the density and specific heat separately. In this work, human head hair samples are used to show how to set up the experiment, process the experimental data, and subtract the effect of parasitic conduction and radiative losses. PMID:24514072

  4. Topological water wave states in a one-dimensional structure

    NASA Astrophysics Data System (ADS)

    Yang, Zhaoju; Gao, Fei; Zhang, Baile

    2016-07-01

    Topological concepts have been introduced into electronic, photonic, and phononic systems, but have not been studied in surface-water-wave systems. Here we study a one-dimensional periodic resonant surface-water-wave system and demonstrate its topological transition. By selecting three different water depths, we can construct different types of water waves - shallow, intermediate and deep water waves. The periodic surface-water-wave system consists of an array of cylindrical water tanks connected with narrow water channels. As the width of connecting channel varies, the band diagram undergoes a topological transition which can be further characterized by Zak phase. This topological transition holds true for shallow, intermediate and deep water waves. However, the interface state at the boundary separating two topologically distinct arrays of water tanks can exhibit different bands for shallow, intermediate and deep water waves. Our work studies for the first time topological properties of water wave systems, and paves the way to potential management of water waves.

  5. Charge transport through one-dimensional Moiré crystals.

    PubMed

    Bonnet, Roméo; Lherbier, Aurélien; Barraud, Clément; Della Rocca, Maria Luisa; Lafarge, Philippe; Charlier, Jean-Christophe

    2016-01-01

    Moiré superlattices were generated in two-dimensional (2D) van der Waals heterostructures and have revealed intriguing electronic structures. The appearance of mini-Dirac cones within the conduction and valence bands of graphene is one of the most striking among the new quantum features. A Moiré superstructure emerges when at least two periodic sub-structures superimpose. 2D Moiré patterns have been particularly investigated in stacked hexagonal 2D atomic lattices like twisted graphene layers and graphene deposited on hexagonal boron-nitride. In this letter, we report both experimentally and theoretically evidence of superlattices physics in transport properties of one-dimensional (1D) Moiré crystals. Rolling-up few layers of graphene to form a multiwall carbon nanotube adds boundaries conditions that can be translated into interference fringes-like Moiré patterns along the circumference of the cylinder. Such a 1D Moiré crystal exhibits a complex 1D multiple bands structure with clear and robust interband quantum transitions due to the presence of mini-Dirac points and pseudo-gaps. Our devices consist in a very large diameter (>80 nm) multiwall carbon nanotubes of high quality, electrically connected by metallic electrodes acting as charge reservoirs. Conductance measurements reveal the presence of van Hove singularities assigned to 1D Moiré superlattice effect and illustrated by electronic structure calculations. PMID:26786067

  6. Automated quantification of one-dimensional nanostructure alignment on surfaces

    NASA Astrophysics Data System (ADS)

    Dong, Jianjin; Goldthorpe, Irene A.; Mohieddin Abukhdeir, Nasser

    2016-06-01

    A method for automated quantification of the alignment of one-dimensional (1D) nanostructures from microscopy imaging is presented. Nanostructure alignment metrics are formulated and shown to be able to rigorously quantify the orientational order of nanostructures within a two-dimensional domain (surface). A complementary image processing method is also presented which enables robust processing of microscopy images where overlapping nanostructures might be present. Scanning electron microscopy (SEM) images of nanowire-covered surfaces are analyzed using the presented methods and it is shown that past single parameter alignment metrics are insufficient for highly aligned domains. Through the use of multiple parameter alignment metrics, automated quantitative analysis of SEM images is shown to be possible and the alignment characteristics of different samples are able to be quantitatively compared using a similarity metric. The results of this work provide researchers in nanoscience and nanotechnology with a rigorous method for the determination of structure/property relationships, where alignment of 1D nanostructures is significant.

  7. Validation and Comparison of One-Dimensional Graound Motion Methodologies

    SciTech Connect

    B. Darragh; W. Silva; N. Gregor

    2006-06-28

    Both point- and finite-source stochastic one-dimensional ground motion models, coupled to vertically propagating equivalent-linear shear-wave site response models are validated using an extensive set of strong motion data as part of the Yucca Mountain Project. The validation and comparison exercises are presented entirely in terms of 5% damped pseudo absolute response spectra. The study consists of a quantitative analyses involving modeling nineteen well-recorded earthquakes, M 5.6 to 7.4 at over 600 sites. The sites range in distance from about 1 to about 200 km in the western US (460 km for central-eastern US). In general, this validation demonstrates that the stochastic point- and finite-source models produce accurate predictions of strong ground motions over the range of 0 to 100 km and for magnitudes M 5.0 to 7.4. The stochastic finite-source model appears to be broadband, producing near zero bias from about 0.3 Hz (low frequency limit of the analyses) to the high frequency limit of the data (100 and 25 Hz for response and Fourier amplitude spectra, respectively).

  8. Solitary Wave in One-dimensional Buckyball System at Nanoscale

    PubMed Central

    Xu, Jun; Zheng, Bowen; Liu, Yilun

    2016-01-01

    We have studied the stress wave propagation in one-dimensional (1-D) nanoscopic buckyball (C60) system by molecular dynamics (MD) simulation and quantitative modeling. Simulation results have shown that solitary waves are generated and propagating in the buckyball system through impacting one buckyball at one end of the buckyball chain. We have found the solitary wave behaviors are closely dependent on the initial temperature and impacting speed of the buckyball chain. There are almost no dispersion and dissipation of the solitary waves (stationary solitary wave) for relatively low temperature and high impacting speed. While for relatively high temperature and low impacting speed the profile of the solitary waves is highly distorted and dissipated after propagating several tens of buckyballs. A phase diagram is proposed to describe the effect of the temperature and impacting speed on the solitary wave behaviors in buckyball system. In order to quantitatively describe the wave behavior in buckyball system, a simple nonlinear-spring model is established, which can describe the MD simulation results at low temperature very well. The results presented in this work may lay a solid step towards the further understanding and manipulation of stress wave propagation and impact energy mitigation at nanoscale. PMID:26891624

  9. Interspecies tunneling in one-dimensional Bose mixtures

    SciTech Connect

    Pflanzer, Anika C.; Zoellner, Sascha; Schmelcher, Peter

    2010-02-15

    We study the ground-state properties and quantum dynamics of few-boson mixtures with strong interspecies repulsion in one-dimensional traps. If one species localizes at the center, e.g., due to a very large mass compared to the other component, it represents an effective barrier for the latter, and the system can be mapped onto identical bosons in a double well. For weaker localization, the barrier atoms begin to respond to the light component, leading to an induced attraction between the mobile atoms that may even outweigh their bare intraspecies repulsion. To explain the resulting effects, we derive an effective Hubbard model for the lighter species accounting for the back action of the barrier in correction terms to the lattice parameters. Also the tunneling is drastically affected: by varying the degree of localization of the 'barrier' atoms, the dynamics of intrinsically noninteracting bosons can change from Rabi oscillations to effective pair tunneling. For identical fermions (or fermionized bosons), this leads to the tunneling of attractively bound pairs.

  10. Dynamical spin structure factor of one-dimensional interacting fermions

    NASA Astrophysics Data System (ADS)

    Zyuzin, Vladimir A.; Maslov, Dmitrii L.

    2015-02-01

    We revisit the dynamic spin susceptibility χ (q ,ω ) of one-dimensional interacting fermions. To second order in the interaction, backscattering results in a logarithmic correction to χ (q ,ω ) at q ≪kF , even if the single-particle spectrum is linearized near the Fermi points. Consequently, the dynamic spin structure factor Im χ (q ,ω ) is nonzero at frequencies above the single-particle continuum. In the boson language, this effect results from the marginally irrelevant backscattering operator of the sine-Gordon model. Away from the threshold, the high-frequency tail of Im χ (q ,ω ) due to backscattering is larger than that due to finite mass by a factor of kF/q . We derive the renormalization group equations for the coupling constants of the g -ology model at finite ω and q and find the corresponding expression for χ (q ,ω ) , valid to all orders in the interaction but not in the immediate vicinity of the continuum boundary, where the finite-mass effects become dominant.

  11. Weak lasing in one-dimensional polariton superlattices

    PubMed Central

    Zhang, Long; Xie, Wei; Wang, Jian; Poddubny, Alexander; Lu, Jian; Wang, Yinglei; Gu, Jie; Liu, Wenhui; Xu, Dan; Shen, Xuechu; Rubo, Yuri G.; Altshuler, Boris L.; Kavokin, Alexey V.; Chen, Zhanghai

    2015-01-01

    Bosons with finite lifetime exhibit condensation and lasing when their influx exceeds the lasing threshold determined by the dissipative losses. In general, different one-particle states decay differently, and the bosons are usually assumed to condense in the state with the longest lifetime. Interaction between the bosons partially neglected by such an assumption can smear the lasing threshold into a threshold domain—a stable lasing many-body state exists within certain intervals of the bosonic influxes. This recently described weak lasing regime is formed by the spontaneously symmetry breaking and phase-locking self-organization of bosonic modes, which results in an essentially many-body state with a stable balance between gains and losses. Here we report, to our knowledge, the first observation of the weak lasing phase in a one-dimensional condensate of exciton–polaritons subject to a periodic potential. Real and reciprocal space photoluminescence images demonstrate that the spatial period of the condensate is twice as large as the period of the underlying periodic potential. These experiments are realized at room temperature in a ZnO microwire deposited on a silicon grating. The period doubling takes place at a critical pumping power, whereas at a lower power polariton emission images have the same periodicity as the grating. PMID:25787253

  12. Weak lasing in one-dimensional polariton superlattices.

    PubMed

    Zhang, Long; Xie, Wei; Wang, Jian; Poddubny, Alexander; Lu, Jian; Wang, Yinglei; Gu, Jie; Liu, Wenhui; Xu, Dan; Shen, Xuechu; Rubo, Yuri G; Altshuler, Boris L; Kavokin, Alexey V; Chen, Zhanghai

    2015-03-31

    Bosons with finite lifetime exhibit condensation and lasing when their influx exceeds the lasing threshold determined by the dissipative losses. In general, different one-particle states decay differently, and the bosons are usually assumed to condense in the state with the longest lifetime. Interaction between the bosons partially neglected by such an assumption can smear the lasing threshold into a threshold domain--a stable lasing many-body state exists within certain intervals of the bosonic influxes. This recently described weak lasing regime is formed by the spontaneously symmetry breaking and phase-locking self-organization of bosonic modes, which results in an essentially many-body state with a stable balance between gains and losses. Here we report, to our knowledge, the first observation of the weak lasing phase in a one-dimensional condensate of exciton-polaritons subject to a periodic potential. Real and reciprocal space photoluminescence images demonstrate that the spatial period of the condensate is twice as large as the period of the underlying periodic potential. These experiments are realized at room temperature in a ZnO microwire deposited on a silicon grating. The period doubling takes place at a critical pumping power, whereas at a lower power polariton emission images have the same periodicity as the grating.

  13. Covering by random intervals and one-dimensional continuum percolation

    SciTech Connect

    Domb, C. )

    1989-04-01

    A brief historical introduction is given to the problem of covering a line by random overlapping intervals. The problem for equal intervals was first solved by Whitworth in the 1890s. A brief resume is given of his solution. The advantages of the present author's approach, which uses a Poisson process, are outlined, and a solution is derived by Laplace transforms. The asymptotic behavior as the line becomes long is calculated and is related to the one-dimensional continuum percolation problem. It is shown that as long as the mean interval size is finite, the probability of complete coverage decays exponentially, so that the critical percolation probability p{sub c} = 1. However, as soon as the mean interval size becomes infinite, the critical percolation probability p{sub c} switches to 0. This is in accord with previous results for a lattice model by Chinese workers, but differs from those of Schulman. A possible reason for the discrepancy is a difference in boundary conditions.

  14. Fractal geometry in an expanding, one-dimensional, Newtonian universe.

    PubMed

    Miller, Bruce N; Rouet, Jean-Louis; Le Guirriec, Emmanuel

    2007-09-01

    Observations of galaxies over large distances reveal the possibility of a fractal distribution of their positions. The source of fractal behavior is the lack of a length scale in the two body gravitational interaction. However, even with new, larger, sample sizes from recent surveys, it is difficult to extract information concerning fractal properties with confidence. Similarly, three-dimensional N-body simulations with a billion particles only provide a thousand particles per dimension, far too small for accurate conclusions. With one-dimensional models these limitations can be overcome by carrying out simulations with on the order of a quarter of a million particles without compromising the computation of the gravitational force. Here the multifractal properties of two of these models that incorporate different features of the dynamical equations governing the evolution of a matter dominated universe are compared. For each model at least two scaling regions are identified. By employing criteria from dynamical systems theory it is shown that only one of them can be geometrically significant. The results share important similarities with galaxy observations, such as hierarchical clustering and apparent bifractal geometry. They also provide insights concerning possible constraints on length and time scales for fractal structure. They clearly demonstrate that fractal geometry evolves in the mu (position, velocity) space. The observed patterns are simply a shadow (projection) of higher-dimensional structure.

  15. Reentrant phase coherence in a quasi-one-dimensional superconductor

    NASA Astrophysics Data System (ADS)

    Ansermet, Diane; Petrovic, Alexander P.; He, Shikun; Chernyshov, Dmitri; Hoesch, Moritz; Salloum, Diala; Gougeon, Patrick; Potel, Michel; Boeri, Lilia; Andersen, Ole K.; Panagopoulos, Christos

    Short coherence lengths characteristic of low-dimensional superconductors are related to high critical fields or temperatures. Fatally, such materials are often sensitive to disorder and suffer from phase fluctuations in the order parameter which diverge with temperature T, magnetic field H or current I. To solve synthesis and fluctuation problems, we propose to build superconductors from inhomogeneous composites of nanofilaments. Single crystals of quasi-one-dimensional Na2-δMo6Se6 featuring Na vacancy disorder (δ ~ 0 . 2) behave as percolative networks of superconducting nanowires. Long range order is established via transverse coupling between individual filaments, yet phase coherence is unstable to fluctuations and localization in the zero-(T, H, I) limit. A region of reentrant phase coherence develops upon raising (T, H, I) and is attributed to an enhancement of the transverse coupling due to electron delocalization. The observed reentrance in the electronic transport coincides with a peak in the Josephson energy EJ at non-zero (T, H, I). Na2-δMo6Se6 is a blueprint for a new generation of low dimensional superconductors with resilience to phase fluctuations at high (T, H, I). This work was supported by the National Research Foundation, Singapore, through Grant NRF-CRP4-2008-04.

  16. One-dimensional nanoferroic rods; synthesis and characterization

    NASA Astrophysics Data System (ADS)

    Ahmed, M. A.; Seddik, U.; Okasha, N.; Imam, N. G.

    2015-11-01

    One-dimensional nanoferroic rods of BaTiO3 were synthesized by improved citrate auto-combustion technology using tetrabutyl titanate. X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive X-ray (EDX), transmission electron microscopy (TEM), atomic force microscopy (AFM) and Fourier transform infrared spectroscopy (FTIR) have been used to characterize the prepared sample. The results indicated that the crystal structure of BaTiO3 is tetragonal phase with an average crystallite size of 47 nm. SEM image gives a cauliflower-like morphology of the agglomerated nanorods. The stoichiometry of the chemical composition of the BaTiO3 ceramic was confirmed by EDX. TEM micrograph exhibited that BaTiO3 nanoparticles have rod-like shape with an average length of 120 nm and width of 43 nm. AFM was used to investigate the surface topography and its roughness. The topography image in 3D showed that the BaTiO3 particles have a rod shape with an average particle size of 116 nm which in agreement with 3D TEM result.

  17. A one-dimensional model of Nucleosome distribution in DNA

    NASA Astrophysics Data System (ADS)

    Osberg, Brendan; Moebius, Wolfram; Nguyen, Kien; Gerland, Ulrich

    2012-02-01

    Nucleosome positioning along DNA is neither random nor precisely regular. Genome-wide maps of nucleosome positions in various eukaryotes have revealed a common pattern around transcription start sites, involving a nucleosome-free region flanked by a periodic pattern in the average nucleosome density. We take a quantitative mathematical description of the nucleosome pattern, and incorporate specifically bound transcription factors. Our model assumes a dense, one-dimensional gas of particles, however, instead of previous work which assumes fixed-size particles interacting only by exclusion, our model explicitly accounts for transient unwrapping of short segments of nucleosomal DNA. Hence, such particles no longer have a fixed size, but interact by an effective repulsive potential. This model has been succesfully used, by us, to provide a unified description of 12 Hemiascomycota yeast species with a single unified set of model parameters. We incorporate into this model, specifically bound particles, or transcription factors (TF), which serve an important role in gene regulation. Nucleosome distribution patterns have an important influence on TF binding, and can even mediate interactions between transcription factors at a distance. This interaction can account for cooperative or competitive binding between these proteins, and we will discuss the implications this can have on gene regulation.

  18. Topological water wave states in a one-dimensional structure.

    PubMed

    Yang, Zhaoju; Gao, Fei; Zhang, Baile

    2016-01-01

    Topological concepts have been introduced into electronic, photonic, and phononic systems, but have not been studied in surface-water-wave systems. Here we study a one-dimensional periodic resonant surface-water-wave system and demonstrate its topological transition. By selecting three different water depths, we can construct different types of water waves - shallow, intermediate and deep water waves. The periodic surface-water-wave system consists of an array of cylindrical water tanks connected with narrow water channels. As the width of connecting channel varies, the band diagram undergoes a topological transition which can be further characterized by Zak phase. This topological transition holds true for shallow, intermediate and deep water waves. However, the interface state at the boundary separating two topologically distinct arrays of water tanks can exhibit different bands for shallow, intermediate and deep water waves. Our work studies for the first time topological properties of water wave systems, and paves the way to potential management of water waves. PMID:27373982

  19. One-dimensional consolidation in unsaturated soils under cyclic loading

    NASA Astrophysics Data System (ADS)

    Lo, Wei-Cheng; Sposito, Garrison; Lee, Jhe-Wei; Chu, Hsiuhua

    2016-05-01

    The one-dimensional consolidation model of poroelasticity of Lo et al. (2014) for an unsaturated soil under constant loading is generalized to include an arbitrary time-dependent loading. A closed-form solution for the pore water and air pressures along with the total settlement is derived by employing a Fourier series representation in the spatial domain and a Laplace transformation in the time domain. This solution is illustrated for the important example of a fully-permeable soil cylinder with an undrained initial condition acted upon by a periodic stress. Our results indicate that, in terms of a dimensionless time scale, the transient solution decays to zero most slowly in a water-saturated soil, whereas for an unsaturated soil, the time for the transient solution to die out is inversely proportional to the initial water saturation. The generalization presented here shows that the diffusion time scale for pore water in an unsaturated soil is orders of magnitude greater than that in a water-saturated soil, mainly because of the much smaller hydraulic conductivity of the former.

  20. Charge transport through one-dimensional Moiré crystals

    NASA Astrophysics Data System (ADS)

    Bonnet, Roméo; Lherbier, Aurélien; Barraud, Clément; Rocca, Maria Luisa Della; Lafarge, Philippe; Charlier, Jean-Christophe

    2016-01-01

    Moiré superlattices were generated in two-dimensional (2D) van der Waals heterostructures and have revealed intriguing electronic structures. The appearance of mini-Dirac cones within the conduction and valence bands of graphene is one of the most striking among the new quantum features. A Moiré superstructure emerges when at least two periodic sub-structures superimpose. 2D Moiré patterns have been particularly investigated in stacked hexagonal 2D atomic lattices like twisted graphene layers and graphene deposited on hexagonal boron-nitride. In this letter, we report both experimentally and theoretically evidence of superlattices physics in transport properties of one-dimensional (1D) Moiré crystals. Rolling-up few layers of graphene to form a multiwall carbon nanotube adds boundaries conditions that can be translated into interference fringes-like Moiré patterns along the circumference of the cylinder. Such a 1D Moiré crystal exhibits a complex 1D multiple bands structure with clear and robust interband quantum transitions due to the presence of mini-Dirac points and pseudo-gaps. Our devices consist in a very large diameter (>80 nm) multiwall carbon nanotubes of high quality, electrically connected by metallic electrodes acting as charge reservoirs. Conductance measurements reveal the presence of van Hove singularities assigned to 1D Moiré superlattice effect and illustrated by electronic structure calculations.

  1. Topological order in interacting one-dimensional Bose Systems

    NASA Astrophysics Data System (ADS)

    Grusdt, Fabian; Höning, Michael; Fleischhauer, Michael

    2015-05-01

    We discuss topological aspects of one-dimensional inversion-symmetric systems of interacting bosons, which can be implemented in current experiments with ultra cold atoms. We consider both integer and fractional fillings of a topologically non-trivial Bloch band. Our starting point is the chiral-symmetric Su-Schrieffer-Heeger (SSH) model of non-interacting fermions, which can be realized by hard-core bosons. When the hard-core constraint is removed, we obtain a bosonic system with inversion-symmetry protected topological order. Because the chiral symmetry is broken by finite interactions, the bulk-boundary correspondence of the SSH model is no longer valid. Nevertheless we show that the fractional part of the charge which is localized at the edge can distinguish topologically trivial- from non-trivial states. We generalize our analysis by including nearest neighbor interactions and present a topological classification of the resulting quarter-filling Mott insulating phase. In this case fractionally charged bulk excitations exist, which we identify in the grand-canonical phase diagram. F.G. acknowledges support from the Graduate School of Material Science MAINZ.

  2. Charge transport through one-dimensional Moiré crystals.

    PubMed

    Bonnet, Roméo; Lherbier, Aurélien; Barraud, Clément; Della Rocca, Maria Luisa; Lafarge, Philippe; Charlier, Jean-Christophe

    2016-01-20

    Moiré superlattices were generated in two-dimensional (2D) van der Waals heterostructures and have revealed intriguing electronic structures. The appearance of mini-Dirac cones within the conduction and valence bands of graphene is one of the most striking among the new quantum features. A Moiré superstructure emerges when at least two periodic sub-structures superimpose. 2D Moiré patterns have been particularly investigated in stacked hexagonal 2D atomic lattices like twisted graphene layers and graphene deposited on hexagonal boron-nitride. In this letter, we report both experimentally and theoretically evidence of superlattices physics in transport properties of one-dimensional (1D) Moiré crystals. Rolling-up few layers of graphene to form a multiwall carbon nanotube adds boundaries conditions that can be translated into interference fringes-like Moiré patterns along the circumference of the cylinder. Such a 1D Moiré crystal exhibits a complex 1D multiple bands structure with clear and robust interband quantum transitions due to the presence of mini-Dirac points and pseudo-gaps. Our devices consist in a very large diameter (>80 nm) multiwall carbon nanotubes of high quality, electrically connected by metallic electrodes acting as charge reservoirs. Conductance measurements reveal the presence of van Hove singularities assigned to 1D Moiré superlattice effect and illustrated by electronic structure calculations.

  3. Numerical method of characteristics for one-dimensional blood flow

    NASA Astrophysics Data System (ADS)

    Acosta, Sebastian; Puelz, Charles; Rivière, Béatrice; Penny, Daniel J.; Rusin, Craig G.

    2015-08-01

    Mathematical modeling at the level of the full cardiovascular system requires the numerical approximation of solutions to a one-dimensional nonlinear hyperbolic system describing flow in a single vessel. This model is often simulated by computationally intensive methods like finite elements and discontinuous Galerkin, while some recent applications require more efficient approaches (e.g. for real-time clinical decision support, phenomena occurring over multiple cardiac cycles, iterative solutions to optimization/inverse problems, and uncertainty quantification). Further, the high speed of pressure waves in blood vessels greatly restricts the time step needed for stability in explicit schemes. We address both cost and stability by presenting an efficient and unconditionally stable method for approximating solutions to diagonal nonlinear hyperbolic systems. Theoretical analysis of the algorithm is given along with a comparison of our method to a discontinuous Galerkin implementation. Lastly, we demonstrate the utility of the proposed method by implementing it on small and large arterial networks of vessels whose elastic and geometrical parameters are physiologically relevant.

  4. Bulk-edge correspondence of one-dimensional quantum walks

    NASA Astrophysics Data System (ADS)

    Cedzich, C.; Grünbaum, F. A.; Stahl, C.; Velázquez, L.; Werner, A. H.; Werner, R. F.

    2016-05-01

    We outline a theory of symmetry protected topological phases of one-dimensional quantum walks. We assume spectral gaps around the symmetry-distinguished points +1 and ‑1, in which only discrete eigenvalues are allowed. The phase classification by integer or binary indices extends the classification known for translation invariant systems in terms of their band structure. However, our theory requires no translation invariance whatsoever, and the indices we define in this general setting are invariant under arbitrary symmetric local perturbations, even those that cannot be continuously contracted to the identity. More precisely we define two indices for every walk, characterizing the behavior far to the right and far to the left, respectively. Their sum is a lower bound on the number of eigenstates at +1 and ‑1. For a translation invariant system the indices add up to zero, so one of them already characterizes the phase. By joining two bulk phases with different indices we get a walk in which the right and left indices no longer cancel, so the theory predicts bound states at +1 or ‑1. This is a rigorous statement of bulk-edge correspondence. The results also apply to the Hamiltonian case with a single gap at zero.

  5. Inelastic collapse in one-dimensional driven systems under gravity.

    PubMed

    Wakou, Jun'ichi; Kitagishi, Hiroyuki; Sakaue, Takahiro; Nakanishi, Hiizu

    2013-04-01

    We study inelastic collapse in a one-dimensional N-particle system when the system is driven from below under gravity. We investigate the hard-sphere limit of inelastic soft-sphere systems by numerical simulations to find how the collision rate per particle n(coll) increases as a function of the elastic constant of the sphere k when the restitution coefficient e is kept constant. For systems with large enough N>/~20, we find three regimes in e depending on the behavior of n(coll) in the hard-sphere limit: (i) an uncollapsing regime for 1≥e>e(c1), where n(coll) converges to a finite value, (ii) a logarithmically collapsing regime for e(c1)>e>e(c2), where n(coll) diverges as n(coll)~logk, and (iii) a power-law collapsing regime for e(c2)>e>0, where n(coll) diverges as n(coll)~k(α) with an exponent α that depends on N. The power-law collapsing regime shrinks as N decreases and seems not to exist for the system with N=3, while, for large N, the size of the uncollapsing and the logarithmically collapsing regime decreases as e(c1)=/~1-2.6/N and e(c2)=/~1-3.0/N. We demonstrate that this difference between large and small systems exists already in the inelastic collapse without external drive and gravity.

  6. Nucleation and growth of nanoscaled one-dimensional materials

    NASA Astrophysics Data System (ADS)

    Cui, Hongtao

    Nanoscaled one-dimensional materials have attracted great interest due to their novel physical and chemical properties. The purpose of this dissertation is to study the nucleation and growth mechanisms of carbon nanotubes and silicon nitride nanowires with their field emission applications in mind. As a result of this research, a novel methodology has been developed to deposit aligned bamboo-like carbon nanotubes on substrates using a methane and ammonia mixture in microwave plasma enhanced chemical deposition. Study of growth kinetics suggests that the carbon diffusion through bulk catalyst particles controls growth in the initial deposition process. Microstructures of carbon nanotubes are affected by the growth temperature and carbon concentration in the gas phase. High-resolution transmission electron microscope confirms the existence of the bamboo-like structure. Electron diffraction reveals that the iron-based catalyst nucleates and sustains the growth of carbon nanotubes. A nucleation and growth model has been constructed based upon experimental data and observations. In the study of silicon nitride nanoneedles, a vapor-liquid-solid model is employed to explain the nucleation and growth processes. Ammonia plasma etching is proposed to reduce the size of the catalyst and subsequently produce the novel needle-like nanostructure. High-resolution transmission electron microscope shows the structure is well crystallized and composed of alpha-silicon nitride. Other observations in the structure are also explained.

  7. Topological water wave states in a one-dimensional structure

    PubMed Central

    Yang, Zhaoju; Gao, Fei; Zhang, Baile

    2016-01-01

    Topological concepts have been introduced into electronic, photonic, and phononic systems, but have not been studied in surface-water-wave systems. Here we study a one-dimensional periodic resonant surface-water-wave system and demonstrate its topological transition. By selecting three different water depths, we can construct different types of water waves - shallow, intermediate and deep water waves. The periodic surface-water-wave system consists of an array of cylindrical water tanks connected with narrow water channels. As the width of connecting channel varies, the band diagram undergoes a topological transition which can be further characterized by Zak phase. This topological transition holds true for shallow, intermediate and deep water waves. However, the interface state at the boundary separating two topologically distinct arrays of water tanks can exhibit different bands for shallow, intermediate and deep water waves. Our work studies for the first time topological properties of water wave systems, and paves the way to potential management of water waves. PMID:27373982

  8. Moving solitons in a one-dimensional fermionic superfluid

    NASA Astrophysics Data System (ADS)

    Efimkin, Dmitry K.; Galitski, Victor

    2015-02-01

    A fully analytical theory of a traveling soliton in a one-dimensional fermionic superfluid is developed within the framework of time-dependent self-consistent Bogoliubov-de Gennes equations, which are solved exactly in the Andreev approximation. The soliton manifests itself in a kinklike profile of the superconducting order parameter and hosts a pair of Andreev bound states in its core. They adjust to the soliton's motion and play an important role in its stabilization. A phase jump across the soliton and its energy decrease with the soliton's velocity and vanish at the critical velocity, corresponding to the Landau criterion, where the soliton starts emitting quasiparticles and becomes unstable. The "inertial" and "gravitational" masses of the soliton are calculated and the former is shown to be orders of magnitude larger than the latter. This results in a slow motion of the soliton in a harmonic trap, reminiscent of the observed behavior of a solitonlike texture in related experiments in cold fermion gases [T. Yefsah et al., Nature (London) 499, 426 (2013), 10.1038/nature12338]. Furthermore, we calculate the full nonlinear dispersion relation of the soliton and solve the classical equations of motion in a trap. The strong nonlinearity at high velocities gives rise to anharmonic oscillatory motion of the soliton. A careful analysis of this anharmonicity may provide a means to experimentally measure the nonlinear soliton spectrum in superfluids.

  9. Carbyne with finite length: The one-dimensional sp carbon

    PubMed Central

    Pan, Bitao; Xiao, Jun; Li, Jiling; Liu, Pu; Wang, Chengxin; Yang, Guowei

    2015-01-01

    Carbyne is the one-dimensional allotrope of carbon composed of sp-hybridized carbon atoms. Definitive evidence for carbyne has remained elusive despite its synthesis and preparation in the laboratory. Given the remarkable technological breakthroughs offered by other allotropes of carbon, including diamond, graphite, fullerenes, carbon nanotubes, and graphene, interest in carbyne and its unusual potential properties remains intense. We report the first synthesis of carbyne with finite length, which is clearly composed of alternating single bonds and triple bonds, using a novel process involving laser ablation in liquid. Spectroscopic analyses confirm that the product is the structure of sp hybridization with alternating carbon-carbon single bonds and triple bonds and capped by hydrogen. We observe purple-blue fluorescence emissions from the gap between the highest occupied molecular orbital and the lowest unoccupied molecular orbital of carbyne. Condensed-phase carbyne crystals have a hexagonal lattice and resemble the white crystalline powder produced by drying a carbyne solution. We also establish that the combination of gold and alcohol is crucial to carbyne formation because carbon-hydrogen bonds can be cleaved with the help of gold catalysts under the favorable thermodynamic environment provided by laser ablation in liquid and because the unique configuration of two carbon atoms in an alcohol molecule matches the elementary entity of carbyne. This laboratory synthesis of carbyne will enable the exploration of its properties and applications. PMID:26601318

  10. Topological phase in one-dimensional Rashba wire

    NASA Astrophysics Data System (ADS)

    Sa-Ke, Wang; Jun, Wang; Jun-Feng, Liu

    2016-07-01

    We study the possible topological phase in a one-dimensional (1D) quantum wire with an oscillating Rashba spin-orbital coupling in real space. It is shown that there are a pair of particle-hole symmetric gaps forming in the bulk energy band and fractional boundary states residing in the gap when the system has an inversion symmetry. These states are topologically nontrivial and can be characterized by a quantized Berry phase ±π or nonzero Chern number through dimensional extension. When the Rashba spin-orbital coupling varies slowly with time, the system can pump out 2 charges in a pumping cycle because of the spin flip effect. This quantized pumping is protected by topology and is robust against moderate disorders as long as the disorder strength does not exceed the opened energy gap. Project supported by the National Natural Science Foundation of China (Grant Nos. 115074045 and 11204187) and the Natural Science Foundation of Jiangsu Province, China (Grant No. BK20131284).

  11. One-dimensional particle models for heat transfer analysis

    NASA Astrophysics Data System (ADS)

    Bufferand, H.; Ciraolo, G.; Ghendrih, Ph; Tamain, P.; Bagnoli, F.; Lepri, S.; Livi, R.

    2010-11-01

    For a better understanding of Spitzer-Härm closure restrictions and for estimating the relevancy of this expression when collisionnality decreases, an effort is done in developing simple models that aim at catching the physics of the transition from conductive to free-streaming heat flux. In that perspective, one-dimensional particle models are developed to study heat transfer properties in the direction parallel to the magnetic field in tokamaks. These models are based on particles that carry energy at a specific velocity and that can interact with each other or with heat sources. By adjusting the particle dynamics and particle interaction properties, it is possible to generate a broad range of models of growing complexity. The simplest models can be solved analytically and are used to link particle behavior to general macroscopic heat transfer properties. In particular, some configurations recover Fourier's law and make possible to investigate the dependance of thermal conductivity on temperature. Besides, some configurations where local balance is lost require defining non local expression for heat flux. These different classes of models could then be linked to different plasma configurations and used to study transition from collisional to non-collisional plasma.

  12. Using the NASA GRC Sectored-One-Dimensional Combustor Simulation

    NASA Technical Reports Server (NTRS)

    Paxson, Daniel E.; Mehta, Vishal R.

    2014-01-01

    The document is a user manual for the NASA GRC Sectored-One-Dimensional (S-1-D) Combustor Simulation. It consists of three sections. The first is a very brief outline of the mathematical and numerical background of the code along with a description of the non-dimensional variables on which it operates. The second section describes how to run the code and includes an explanation of the input file. The input file contains the parameters necessary to establish an operating point as well as the associated boundary conditions (i.e. how it is fed and terminated) of a geometrically configured combustor. It also describes the code output. The third section describes the configuration process and utilizes a specific example combustor to do so. Configuration consists of geometrically describing the combustor (section lengths, axial locations, and cross sectional areas) and locating the fuel injection point and flame region. Configuration requires modifying the source code and recompiling. As such, an executable utility is included with the code which will guide the requisite modifications and insure that they are done correctly.

  13. Reflectometry as a fluctuation diagnostic: A one-dimensional simulation

    SciTech Connect

    Chou, A.E.; Luhmann, N.C. Jr.; Peebles, W.A.; Rhodes, T.L. )

    1992-10-01

    Reflectometry is currently employed to characterize turbulence in fusion plasmas worldwide and is expected to be a major diagnostic on the next generation of machines (e.g., ITER). Until recently, little was known about the response of a reflectometer to fluctuations (degree of localization of the signal, sensitivity to fluctuation wave number, dependence on density scale length, etc.). To elucidate these properties, we have been modeling reflectometer behavior with a code based on solution of a one-dimensional full wave equation. The code models an infinite plane plasma with density gradient in the {ital x} direction and solves the full wave equation to find the electric field of the reflectometer's electromagnetic wave. It can simulate stationary and moving density perturbations with arbitrary waveforms and wave numbers in plasmas with arbitrary density profiles. We present results of test cases comparing computational results to known analytic solutions for linear and 1{minus}{alpha}{sup 2}/{ital x}{sup 2} plasma density profiles, which show very good agreement.

  14. Topological phase in one-dimensional Rashba wire

    NASA Astrophysics Data System (ADS)

    Sa-Ke, Wang; Jun, Wang; Jun-Feng, Liu

    2016-07-01

    We study the possible topological phase in a one-dimensional (1D) quantum wire with an oscillating Rashba spin–orbital coupling in real space. It is shown that there are a pair of particle–hole symmetric gaps forming in the bulk energy band and fractional boundary states residing in the gap when the system has an inversion symmetry. These states are topologically nontrivial and can be characterized by a quantized Berry phase ±π or nonzero Chern number through dimensional extension. When the Rashba spin–orbital coupling varies slowly with time, the system can pump out 2 charges in a pumping cycle because of the spin flip effect. This quantized pumping is protected by topology and is robust against moderate disorders as long as the disorder strength does not exceed the opened energy gap. Project supported by the National Natural Science Foundation of China (Grant Nos. 115074045 and 11204187) and the Natural Science Foundation of Jiangsu Province, China (Grant No. BK20131284).

  15. Charge transport through one-dimensional Moiré crystals

    PubMed Central

    Bonnet, Roméo; Lherbier, Aurélien; Barraud, Clément; Rocca, Maria Luisa Della; Lafarge, Philippe; Charlier, Jean-Christophe

    2016-01-01

    Moiré superlattices were generated in two-dimensional (2D) van der Waals heterostructures and have revealed intriguing electronic structures. The appearance of mini-Dirac cones within the conduction and valence bands of graphene is one of the most striking among the new quantum features. A Moiré superstructure emerges when at least two periodic sub-structures superimpose. 2D Moiré patterns have been particularly investigated in stacked hexagonal 2D atomic lattices like twisted graphene layers and graphene deposited on hexagonal boron-nitride. In this letter, we report both experimentally and theoretically evidence of superlattices physics in transport properties of one-dimensional (1D) Moiré crystals. Rolling-up few layers of graphene to form a multiwall carbon nanotube adds boundaries conditions that can be translated into interference fringes-like Moiré patterns along the circumference of the cylinder. Such a 1D Moiré crystal exhibits a complex 1D multiple bands structure with clear and robust interband quantum transitions due to the presence of mini-Dirac points and pseudo-gaps. Our devices consist in a very large diameter (>80 nm) multiwall carbon nanotubes of high quality, electrically connected by metallic electrodes acting as charge reservoirs. Conductance measurements reveal the presence of van Hove singularities assigned to 1D Moiré superlattice effect and illustrated by electronic structure calculations. PMID:26786067

  16. Transmission properties of one-dimensional ternary plasma photonic crystals

    SciTech Connect

    Shiveshwari, Laxmi; Awasthi, S. K.

    2015-09-15

    Omnidirectional photonic band gaps (PBGs) are found in one-dimensional ternary plasma photonic crystals (PPC) composed of single negative metamaterials. The band characteristics and transmission properties are investigated through the transfer matrix method. We show that the proposed structure can trap light in three-dimensional space due to the elimination of Brewster's angle transmission resonance allowing the existence of complete PBG. The results are discussed in terms of incident angle, layer thickness, dielectric constant of the dielectric material, and number of unit cells (N) for TE and TM polarizations. It is seen that PBG characteristics is apparent even in an N ≥ 2 system, which is weakly sensitive to the incident angle and completely insensitive to the polarization. Finite PPC could be used for multichannel transmission filter without introducing any defect in the geometry. We show that the locations of the multichannel transmission peaks are in the allowed band of the infinite structure. The structure can work as a single or multichannel filter by varying the number of unit cells. Binary PPC can also work as a polarization sensitive tunable filter.

  17. Scattering by infinitely rising one-dimensional potentials

    NASA Astrophysics Data System (ADS)

    Ferreira, E. M.; Sesma, J.

    2015-12-01

    Infinitely rising one-dimensional potentials constitute impenetrable barriers which reflect totally any incident wave. However, the scattering by such kind of potentials is not structureless: resonances may occur for certain values of the energy. Here we consider the problem of scattering by the members of a family of potentials Va(x) = - sgn(x) | x | a, where sgn represents the sign function and a is a positive rational number. The scattering function and the phase shifts are obtained from global solutions of the Schrödinger equation. For the determination of the Gamow states, associated to resonances, we exploit their close relation with the eigenvalues of the PT-symmetric Hamiltonians with potentials VaPT(x) = - i sgn(x) | x | a. Calculation of the time delay in the scattering at real energies is used to characterize the resonances. As an additional result, the breakdown of the PT-symmetry of the family of potentials VaPT for a < 3 may be conjectured.

  18. A disorder-enhanced quasi-one-dimensional superconductor

    PubMed Central

    Petrović, A. P.; Ansermet, D.; Chernyshov, D.; Hoesch, M.; Salloum, D.; Gougeon, P.; Potel, M.; Boeri, L.; Panagopoulos, C.

    2016-01-01

    A powerful approach to analysing quantum systems with dimensionality d>1 involves adding a weak coupling to an array of one-dimensional (1D) chains. The resultant quasi-1D (q1D) systems can exhibit long-range order at low temperature, but are heavily influenced by interactions and disorder due to their large anisotropies. Real q1D materials are therefore ideal candidates not only to provoke, test and refine theories of strongly correlated matter, but also to search for unusual emergent electronic phases. Here we report the unprecedented enhancement of a superconducting instability by disorder in single crystals of Na2−δMo6Se6, a q1D superconductor comprising MoSe chains weakly coupled by Na atoms. We argue that disorder-enhanced Coulomb pair-breaking (which usually destroys superconductivity) may be averted due to a screened long-range Coulomb repulsion intrinsic to disordered q1D materials. Our results illustrate the capability of disorder to tune and induce new correlated electron physics in low-dimensional materials. PMID:27448209

  19. A Smart Colorful Supercapacitor with One Dimensional Photonic Crystals

    PubMed Central

    Liu, Cihui; Liu, Xing; Xuan, Hongyun; Ren, Jiaoyu; Ge, Liqin

    2015-01-01

    To meet the pressing demands for portable and flexible equipment in contemporary society, developing flexible, lightweight, and sustainable supercapacitor systems with large power densities, long cycle life, and ease of strongly required. However, estimating the state-of-charge of existing supercapacitors is difficult, and thus their service life is limited. In this study, we fabricate a flexible color indicative supercapacitor device with mesoporous polyaniline (mPANI)/Poly(N-Isopropyl acrylamide-Graphene Oxide-Acrylic Acid) (P(NiPPAm-GO-AA)) one dimensional photonic crystals (1DPCs) as the electrode material through a low-cost, eco-friendly, and scalable fabrication process. We found that the state-of-charge could be monitored by the structural color oscillation due to the change in the photonic band gap position of the 1DPCs. The flexible 1DPCs supercapacitor is thin at 3 mm and exhibits good specific capacitance of 22.6 F g−1 with retention of 91.1% after 3,000 cycles. This study shows the application of the 1DPCs supercapacitor as a visual ultrathin power source. The technology may find many applications in future wearable electronics. PMID:26689375

  20. A disorder-enhanced quasi-one-dimensional superconductor.

    PubMed

    Petrović, A P; Ansermet, D; Chernyshov, D; Hoesch, M; Salloum, D; Gougeon, P; Potel, M; Boeri, L; Panagopoulos, C

    2016-01-01

    A powerful approach to analysing quantum systems with dimensionality d>1 involves adding a weak coupling to an array of one-dimensional (1D) chains. The resultant quasi-1D (q1D) systems can exhibit long-range order at low temperature, but are heavily influenced by interactions and disorder due to their large anisotropies. Real q1D materials are therefore ideal candidates not only to provoke, test and refine theories of strongly correlated matter, but also to search for unusual emergent electronic phases. Here we report the unprecedented enhancement of a superconducting instability by disorder in single crystals of Na2-δMo6Se6, a q1D superconductor comprising MoSe chains weakly coupled by Na atoms. We argue that disorder-enhanced Coulomb pair-breaking (which usually destroys superconductivity) may be averted due to a screened long-range Coulomb repulsion intrinsic to disordered q1D materials. Our results illustrate the capability of disorder to tune and induce new correlated electron physics in low-dimensional materials. PMID:27448209