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Sample records for one-dimensional coordination polymers

  1. Sonochemical synthesis and characterization of new one-dimensional manganese(II) coordination polymer nanostructures.

    PubMed

    Morsali, Ahmad; Hosseini-Monfared, Hassan; Morsali, Ali; Mayer, Peter

    2015-05-01

    A new Mn(II) coordination polymer, [Mn (L1)2(NCS)2]n (1) [L1=3,4-bis(4-pyridyl)-5-(2-pyridyl)-1,2,4-triazole] was synthesized by the reaction of ligand L1 and mixtures of manganese(II) acetate and potassium thiocyanate using the heat gradient method. Compound 1 has been characterized by IR spectroscopy, elemental analyses and X-ray crystallography. The crystal structure of compound 1 was determined by single-crystal X-ray diffraction and shows a new interesting one-dimensional coordination polymer. Nanostructures of compound 1 have been synthesized by sonochemical method. The products were characterized by X-ray powder diffraction, scanning electron microscopy (SEM), and IR spectroscopy. The thermal stability of nano particles of compound 1 was studied by thermal gravimetric and differential thermal analyses. PMID:25483353

  2. Polymorphous One-Dimensional Tetrapyridylporphyrin Coordination Polymers Which Structurally Mimic Aryl Stacking Interactions

    NASA Astrophysics Data System (ADS)

    Krishnamohan Sharma, C. V.; Broker, Grant A.; Rogers, Robin D.

    2000-06-01

    Two polymorphic structures of rigid one-dimensional (1D) coordination polymers, [(HgBr2)2TPyP] · 2(1,1,2,2-tetrachloroethane, TCE) (1A, 1B), have been isolated in which the 1D polymers adopt either stacking or herringbone (or T-shaped) geometries as observed for simple aromatic hydrocarbons. Polymorph 1A has a 1D polymeric structure with each HgBr2 tetrahedrally coordinated to a pyridyl moiety of two TPyP molecules. The 1D polymers in 1A are weakly cross-linked through long metal-halide bridges forming a 2D steplike sheet with each sheet stacked to form a continuous open porous structure. The 1D polymers in 1B adopt a T-shaped geometry such that the C-H groups of the pyrrole rings point toward the porphyrin cavity to maximize C-H ··· N or C-H ··· C interactions and the crest of the polymer (pyridyl-HgBr2-pyridyl moiety) interdigitates into the supramolecular cavities to form long, but significant Hg ··· Br interactions. Indeed, the cause of the stacked versus herringbone structures in 1A and 1B can be traced to the different possible secondary interactions between Br and Hg: edge-on in 1A and side-on in 1B. (This is in contrast to the electrostatic interactions leading to face-to-face versus hydrogen bonding in edge-to-face aromatic packing.) Polymorph 1A crystallizes in the triclinic space group P-1 with a=7.3653(9), b=12.920(2), and c=14.320(2) Å, α=72.218(2), β=81.858(3), and γ=79.505(3)°, V=1270.5(3) Å3, Dcalc=2.189 g cm-3, Z=1, and R=0.0672. Polymorph 1B is monoclinic, P21/c with a=15.2397(2), b=30.4642(5), and c=11.2657(1) Å, β=93.212(1)°, V=5222.06(12) Å3, Dcalc=2.131 g cm-3, Z=4, and R=0.0929.

  3. Two different one-dimensional Cd(II) halide coordination polymers constructed through bridging carboxylate ligands.

    PubMed

    Hou, Xue-Li; Wang, Hui-Ting

    2015-11-01

    Two cadmium halide complexes, catena-poly[[chloridocadmium(II)]-di-μ-chlorido-[chloridocadmium(II)]-bis[μ2-4-(dimethylamino)pyridin-1-ium-1-acetate]-κ(3)O:O,O';κ(3)O,O':O], [CdCl2(C9H12N2O2)]n, (I), and catena-poly[1-cyanomethyl-1,4-diazoniabicyclo[2.2.2]octane [[dichloridocadmium(II)]-μ-oxalato-κ(4)O(1),O(2):O(1'),O(2')] monohydrate], {(C8H15N3)[CdCl2(C2O4)]·H2O}n, (II), were synthesized in aqueous solution. In (I), the Cd(II) cation is octahedrally coordinated by three O atoms from two carboxylate groups and by one terminal and two bridging chloride ligands. Neighbouring Cd(II) cations are linked together by chloride anions and bridging O atoms to form a one-dimensional zigzag chain. Hydrogen-bond interactions are involved in the formation of the two-dimensional network. In (II), each Cd(II) cation is octahedrally coordinated by four O atoms from two oxalic acid ligands and two terminal Cl(-) ligands. Neighbouring Cd(II) cations are linked together by oxalate groups to form a one-dimensional anionic chain, and the water molecules and organic cations are connected to this one-dimensional zigzag chain through hydrogen-bond interactions. PMID:26524171

  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. PMID:23594219

  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). PMID:26422225

  8. A one-dimensional coordination polymer with a capped [Cu4O4] cubane core assembled from 2-(hydroxymethyl)pyridine.

    PubMed

    Lv, Hong Mei; Wang, Su Na; Li, Da Cheng; Dou, Jian Min

    2014-09-01

    The one-dimensional coordination polymer catena-poly[[[di-μ2-acetato-tetrakis[μ3-(pyridin-2-yl)methanolato]tetracopper(II)]-di-μ2-diacetamidato] acetonitrile monosolvate], {[Cu4(C6H6NO)4(CH3COO)2(C2N3)2]·CH3CN}n, has been prepared from the direct reaction of 2-(hydroxymethyl)pyridine with Cu(OAc)2·H2O (OAc(-) is acetate) in a methanol-acetonitrile mixture. The four Cu centres are bridged by four O atoms from discrete (pyridin-2-yl)methanolate ligands and two acetate groups, forming a capped [Cu4O4] cubane core. Each core is doubly bridged to each of two adjacent cores by [N(CN)2](-) anions, resulting in one-dimensional chains. The magnetic properties of the complex were also studied. PMID:25186354

  9. Synthesis, crystal structures and luminescent properties of two one-dimensional cadmium(II) coordination polymers generated from polydentate Schiff-base ligand.

    PubMed

    Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin; Zheng, Yan-Ning

    2012-11-01

    Two new one-dimensional coordination polymers {[CdL(2)(H(2)O)(2)](NO(3))(2)(H(2)O)(6)}(n) (1) and {[CdLI(2)](H(2)O)(CH(3)OH)}(n) (2) have been synthesized and characterized by IR, elemental analysis, TG technique, XRPD and complete single crystal structure analyses, where L is bis(pyridin-4-ylmethylene)biphenyl-2,2'-dicarbohydrazide. The Cd(II) atom has a distorted octahedral coordination geometry with N(4)O(2) donors from four ligands and two water molecules in 1 and a distorted tetrahedral coordination geometry with NOI(2) donors from two ligands and two I(-) anions in 2, respectively. Polymer 1 shows a 1D framework structure containing bimetallic 42-membered quadrangular ring units. The adjacent 1D chains are interacted forming a 3D supramolecular network structure through multiform hydrogen bond interactions. In comparison with 1, polymer 2 is a new rampart-type chain and each chain is interacted with each other through hydrogen bond interactions to lead a 2D layer. The luminescent properties of the polymers 1 and 2 were investigated in the solid state at room temperature. PMID:22750344

  10. One-dimensional silver(I) coordination polymers containing cyclodiphosphazane, cis-{(o-MeOC(6)H(4)O)P(mu-N(t)Bu)}(2).

    PubMed

    Chandrasekaran, P; Mague, Joel T; Balakrishna, Maravanji S

    2007-07-21

    The 1:1 reaction between the cyclodiphosphazane cis-{(o-MeOC(6)H(4)O)P(mu-N(t)Bu)}(2) (1) and AgOTf afforded one-dimensional Ag(I) coordination polymer [Ag{mu-OTf-kappaO,kappaO}{mu-(o-MeOC(6)H(4)O)P(mu-N(t)Bu)-kappaP,kappaP}(2)](infinity) (2) containing bridging cyclodiphosphazane and trifluoromethanesulfonate (OTf) ligands. The 2:1 reaction of and AgOTf leads to the formation of simple mononuclear complex [Ag{OTf-kappaO,kappaO}({(o-MeOC(6)H(4)O)P(mu-N(t)Bu)-kappaP}(2))(2)] (3) in quantitative yield. Reaction of 1 with AgCN produces a strain-free zig-zag coordination polymer [({(o-MeOC(6)H(4)O)P(mu-N(t)Bu)-kappaP,kappaP}(2))(2)Ag(NCAgCN)](infinity) (4) irrespective of reaction stoichiometry and conditions. In complexes 3 and 4 cyclodiphosphazanes coordinate to Ag(I) centers in a monodentate fashion. Single crystal structures were established for the Ag(I) polymers 2 and 4. PMID:17607411

  11. 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

  12. 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

  13. One-dimensional copper(II) coordination polymers bridged both by mu-trans-oxamidates and phenyldicarboxylates: Synthesis, crystal structure and DNA binding studies.

    PubMed

    Li, Yan-Tuan; Liu, Zhi-Qiang; Wu, Zhi-Yong

    2008-09-01

    Two new one-dimensional copper(II) polymers with formulae of [Cu(2)(H(2)O)(2)(dmapox)(ipa)(2)](n) (1) and [Cu(2)(H(2)O)(2)(dmapox)(tpa)(2)](n) (2), where dmapox, ipa and tpa stand for the dianion of N,N'-bis[3-(dimethylamino)propyl]oxamide, isophthalic acid and terephthalic acid respectively, have been synthesized and characterized by elemental analysis, conductivity measurement, IR and electronic spectral studies. The crystal structures of the two complexes have been determined by X-ray single-crystal diffraction. The structures of 1 and 2 consist of one-dimensional copper(II) coordination polymeric chain constructed both by the bis-tridentate trans-dmapox and bis-monodentate phenyldicarboxylate bridging ligands. In the two complexes, the environment around the copper(II) atoms can be described as distorted square-pyramid and the Cu...Cu separations through mu-trans-dmapox and phenyldicarboxylato bridging ligands are 5.245(5) A and 8.212(3) A for 1, 5.237(8) A and 11.171(1) A for 2, respectively. The binding properties of the two copper(II) polymers with herring sperm DNA (HS-DNA) have been investigated by using absorption and emission spectral and electrochemical techniques and viscometry. The results show that the two copper(II) complexes interact with the HS-DNA in the mode of intercalation with the intrinsic binding constants of 1.22(+/-0.2)x10(4)M(-1) and 1.45(+/-0.3)x10(4)M(-1) for 1 and 2, respectively. PMID:18620754

  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. PMID:26870458

  15. 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

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

    PubMed

    Tabrizi, Leila; Chiniforoshan, Hossein; McArdle, Patrick

    2015-03-15

    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. PMID:25574649

  18. A new one-dimensional cadmium(II) coordination polymer incorporating 4-[4-(1H-imidazol-1-yl)phenyl]pyridine and 5-hydroxybenzene-1,3-dicarboxylate ligands.

    PubMed

    Zhang, Zhi Liang; Liu, Jia Cheng

    2016-05-01

    The design and synthesis of new organic lgands is important to the rapid development of coordination polymers (CPs). However, CPs based on asymmetric ligands are still rare, mainly because such ligands are usually expensive and more difficult to synthesize. The new asymmetric ligand 4-[4-(1H-imidazol-1-yl)phenyl]pyridine (IPP) has been used to construct the title one-dimensional coordination polymer, catena-poly[[[aqua{4-[4-(1H-imidazol-1-yl-κN(3))phenyl]pyridine}cadmium(II)]-μ-5-hydroxybenzene-1,3-dicarboxylato-κ(3)O(1),O(1'):O(3)] monohydrate], {[Cd(C8H4O5)(C14H11N3)2(H2O)]·H2O}n, under hydrothermal reaction of IPP with Cd(II) in the presence of 5-hydroxyisophthalic acid (5-OH-H2bdc). The Cd(II) cation is coordinated by two N atoms from two distinct IPP ligands, three carboxylate O atoms from two different 5-OH-bdc(2-) dianionic ligands and one water O atom in a distorted octahedral geometry. The cationic [Cd(IPP)2](2+) nodes are linked by 5-OH-bdc(2-) ligands to generate a one-dimensional chain. These chains are extended into a two-dimensional layer structure via O-H...O and O-H...N hydrogen bonds and π-π interactions. PMID:27146566

  19. Synthesis, structural characterization and thermal properties of a new copper(II) one-dimensional coordination polymer based on bridging N,N'-bis(2-hydroxybenzylidene)-2,2-dimethylpropane-1,3-diamine and dicyanamide ligands.

    PubMed

    Hopa, Cigdem; Cokay, Ismail

    2016-02-01

    The design and synthesis of polymeric coordination compounds of 3d transition metals are of great interest in the search for functional materials. The coordination chemistry of the copper(II) ion is of interest currently due to potential applications in the areas of molecular biology and magnetochemistry. A novel coordination polymer of Cu(II) with bridging N,N'-bis(2-hydroxyphenyl)-2,2-dimethylpropane-1,3-diamine (H2L-DM) and dicyanamide (dca) ligands, catena-poly[[[μ2-2,2-dimethyl-N,N'-bis(2-oxidobenzylidene)propane-1,3-diamine-1:2κ(6)O,N,N',O':O,O']dicopper(II)]-di-μ-dicyanamido-1:2'κ(2)N(1):N(5);2:1'κ(2)N(1):N(5)], [Cu2(C19H20N2O2)(C2N3)2]n, has been synthesized and characterized by CHN elemental analysis, IR spectroscopy, thermal analysis and X-ray single-crystal diffraction analysis. Structural studies show that the Cu(II) centres in the dimeric asymmetric unit adopt distorted square-pyramidal geometries, as confirmed by the Addison parameter (τ) values. The chelating characteristics of the L-DM(2-) ligand results in the formation of a Cu(II) dimer with a double phenolate bridge in the asymmetric unit. In the crystal, the dimeric units are further linked to adjacent dimeric units through μ1,5-dca bridges to produce one-dimensional polymeric chains. PMID:26846501

  20. 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.

  1. Luminescent lanthanide coordination polymers

    SciTech Connect

    Ma, L.; Evans, O.R.; Foxman, B.M.; Lin, W.

    1999-12-13

    One-dimensional lanthanide coordination polymers with the formula Ln(isonicotinate){sub 3}(H{sub 2}O){sub 2} (Ln = Ce, Pr, Nd, Sm, Eu, Tb; 1a-f) were synthesized by treating nitrate or perchlorate salts of Ln(III) with 4-pyridinecarboxaldehyde under hydro(solvo)thermal conditions. Single-crystal and powder X-ray diffraction studies indicate that these lanthanide coordination polymers adopt two different structures. While Ce(III), Pr(III), and Nd(III) complexes adopt a chain structure with alternating Ln-(carboxylate){sub 2}-Ln and Ln-(carboxylate){sub 4}-Ln linkages, Sm(III), Eu(III), and Tb(III) complexes have a doubly carboxylate-bridged infinite-chain structure with one chelating carboxylate group on each metal center. In both structures, the lanthanide centers also bind to two water molecules to yield an eight-coordinate, square antiprismatic geometry. The pyridine nitrogen atoms of the isonicotinate groups do not coordinate to the metal centers in these lanthanide(III) complexes; instead, they direct the formation of Ln(III) coordination polymers via hydrogen bonding with coordinated water molecules. Photoluminescence measurements show that Tb(isonicotinate){sub 3}(H{sub 2}O){sub 2} is highly emissive at room temperature with a quantum yield of {approximately}90%. These results indicate that highly luminescent lanthanide coordination polymers can be assembled using a combination of coordination and hydrogen bonds. Crystal data for 1a: monoclinic space group P2{sub 1}/c, a = 9.712(2) {angstrom}, b = 19.833(4) {angstrom}, c = 11.616(2) {angstrom}, {beta} = 111.89(3){degree}, Z = 4. Crystal data for 1f: monoclinic space group C2/c, a = 20.253(4) {angstrom}, b = 11.584(2) {angstrom}, c = 9.839(2) {angstrom}, {beta} = 115.64(3){degree}, Z = 8.

  2. Analytical solution for one-dimensional chemo-mechanical coupling behavior of intelligent polymer gel

    NASA Astrophysics Data System (ADS)

    Yang, Qingsheng; Tian, Hui

    2011-11-01

    As an intelligent material, polymer gel is able to respond to external stimulus, including temperature, chemical concentration, pH, etc. The theoretical framework of chemo-mechanical coupling behavior for intelligent polymer gel is emphasized in this paper. Analytical solutions of the displacement and concentration function are found for one dimensional chemo-mechanical coupling problem. It is shown that the present chemo-mechanical theory can be applied to model chemo-mechanical coupling behavior of intelligent polymer gel. This study has important significance to reveal the mechanism of chemo-mechanical coupling behavior of the polymer gel.

  3. Analytical solution for one-dimensional chemo-mechanical coupling behavior of intelligent polymer gel

    NASA Astrophysics Data System (ADS)

    Yang, Qingsheng; Tian, Hui

    2012-04-01

    As an intelligent material, polymer gel is able to respond to external stimulus, including temperature, chemical concentration, pH, etc. The theoretical framework of chemo-mechanical coupling behavior for intelligent polymer gel is emphasized in this paper. Analytical solutions of the displacement and concentration function are found for one dimensional chemo-mechanical coupling problem. It is shown that the present chemo-mechanical theory can be applied to model chemo-mechanical coupling behavior of intelligent polymer gel. This study has important significance to reveal the mechanism of chemo-mechanical coupling behavior of the polymer gel.

  4. 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.

  5. 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.

  6. Crystal structure of a one-dimensional helical-type silver(I) coordination polymer: catena-poly[[silver(I)-μ-N-(pyridin-4-ylmeth-yl)pyridine-3-amine-κ(2) N:N'] nitrate dimethyl sulfoxide disolvate].

    PubMed

    Moon, Bokhee; Jeon, Youngeun; Moon, Suk-Hee; Park, Ki-Min

    2014-12-01

    The asymmetric unit of the title compound, {[Ag(C11H11N3)]NO3·2(CH3)2SO} n , comprises one Ag(I) atom, one N-(pyridine-4-ylmeth-yl)pyridine-3-amine ligand, one nitrate anion and two dimethyl sulfoxide mol-ecules. The Ag(I) atoms are bridged by two pyridine N atoms from two symmetry-related ligands, forming a helical chain and adopting a slightly distorted linear coordination geometry [N-Ag-N = 175.37 (8)°]. The helical chain, with a pitch length of 16.7871 (8) Å, propagates along the b-axis direction. In the crystal, symmetry-related right- and left-handed helical chains are alternately arranged via Ag⋯Ag inter-actions [3.4145 (4) Å] and π-π stacking inter-actions [centroid-centroid distance = 3.650 (2) Å], resulting in the formation of a two-dimensional supra-molecular network extending parallel to (100). Weak Ag⋯O [2.775 (2), 3.169 (4) and 2.690 (2) Å] inter-actions, as well as several N-H⋯O and C-H⋯O hydrogen-bonding inter-actions, contribute to the stabilization of the crystal structure. Parts of the dimethyl sulfoxide solvent molecule are disordered over two sets of sites in a 0.937 (3):0.063 (3) ratio. PMID:25552978

  7. 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.

  8. 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.

  9. The crystal design of polar one-dimensional hydrogen-bonded copper coordination complexes.

    PubMed

    Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Satomi, Koichiro; Suzuki, Yasutaka; Noro, Shin-Ichiro; Nakamura, Takayoshi; Kawamata, Jun; Akutagawa, Tomoyuki

    2016-02-16

    Polar crystals exhibiting second-order harmonic generation (SHG) were designed by adjusting the intermolecular interactions of mononuclear Cu(ii) complexes in which one H2O, two pyridines (py), and two p-substituted benzoate (p-RBA) ligands (R = F, Cl, Br, I, CH3, and OCH3) were coordinated to a Cu(ii) ion, forming a penta-coordinated asymmetric [Cu(ii)(p-RBA)2(py)2(H2O)] mononuclear structure with a permanent dipole moment along the direction of the Cu-OH2 coordination axis. Each asymmetric [Cu(ii)(p-RBA)2(py)2(H2O)] complex formed a polar one-dimensional hydrogen-bonded chain, [Cu(ii)(p-RBA)2(py)2(H2O)]∞, between the non-coordinated carboxylate oxygen atom of the p-RBA ligand and the hydrogen atom of the H2O molecule. The formation of a polar crystal depended on the arrangement of polar hydrogen-bonded chains; the parallel arrangement of each polar chain resulted in a polar crystal. The chemical design of the R group in the p-RBA ligand enabled tuning of the magnitude of the interchain interactions and crystal polarity; polar crystals were obtained using p-RBA ligands with R = Cl, Br, I, and OCH3. In contrast, apolar crystals were grown from complexes containing p-RBA ligands with R = F and CH3. In all crystals, a polar two-dimensional (2D) layer constructed from the parallel polar [Cu(ii)(p-RBA)2(py)2(H2O)]∞ chain arrangement was formed based on weak van der Waals C-H(-)O- interactions between the hydrogen atom of py and the carboxylate oxygen atom of the p-RBA ligand. Weak interlayer halogen (X)π and multipoint C-Hπ interactions played important roles in forming parallel arrangements of polar 2D layers and polar crystals, but there were no effective intermolecular interactions between the polar 2D layers in apolar [Cu(ii)(p-FBA)2(py)2(H2O)] and [Cu(ii)(p-CH3BA)2(py)2(H2O)] crystals. The magnitudes of the interlayer interactions in the polar crystals were larger than those in the apolar ones because of the effective intermolecular interactions. The SHG intensities of the four polar crystals were approximately 0.7 times larger than that of sucrose. PMID:26791265

  10. Coordination symmetry-dependent structure restoration function of one-dimensional MOFs by molecular respiration.

    PubMed

    Kondo, Atsushi; Noguchi, Hiroshi; Kajiro, Hiroshi; Carlucci, Lucia; Mercandelli, Pierluigi; Proserpio, Davide M; Tanaka, Hideki; Kaneko, Katsumi; Kanoh, Hirofumi

    2006-12-28

    One-dimensional metal-organic compounds with cis, trans symmetry-controlled counter anions were synthesized (cis compound {[Cu(azpy)(H2O)2(OTs)2]*2H2O*(acetone)} (1) and trans compound {[Cu(H2O)4Cu(azpy)2(OTs)2(H2O)2]*2(OTs)*2H2O*2EtOH} (2)). Only 2, having trans conformation, exhibited a complete structure-restoration effect with a mechanism involving layering of molecular "bricks" of water and solvent molecules. PMID:17181185

  11. 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

  12. Flexible microporous coordination polymers

    SciTech Connect

    Uemura, Kazuhiro; Matsuda, Ryotaro; Kitagawa, Susumu . E-mail: kitagawa@sbchem.kyoto-u.ac.jp

    2005-08-15

    In a decade, many porous coordination polymers have been synthesized, providing a variety of properties ranging from storage, separation and exchange of guests in their cavities, magnetism, conductivity and catalysis by their frameworks. Recent advent of flexible porous coordination polymers, which exhibit elastic guest accommodation in contrast to rigid three-dimensional (3-D) frameworks of conventional porous materials, have acquired a position as a new class of porous materials. Such flexible porous properties induce highly selective guest accommodation and magnetic modulation, which could now be a unique class of practical materials. In this review, we introduce recent flexible porous coordination polymers (3-17) and their functional properties, categorizing with the four types of pores with framework deformation.

  13. 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.

  14. Projection of the Dynamics of Electron Transfer Reaction in Dual Space onto the One-Dimensional Slower Reaction Coordinate Axis.

    PubMed

    Patra, Aniket; Acharya, Kanagala Ajay; Samanta, Alok

    2015-08-27

    We have derived here for the first time an exact dynamical equation within the domain of classical mechanics for the time dependent density distribution function of one-dimensional reaction coordinate (RC) in the condensed phase for electron transfer reaction by projecting the dynamics of slower modes in multidimensional Liouville space starting with a given set of coordinates of the faster modes. After the faster modes were ensemble averaged, the dynamics of the whole system solely depends on the slower RC. To simplify the complicated equation into a tractable form, benchmark approximations are employed to reduce the formally exact equation into an equation similar to the Smoluchowski equation with a delocalized sink term. As a test case, a Hamiltonian for the solute-solvent system modeled by quadratic functions for fast-relaxing vibrational and slow-relaxing polarization modes, respectively, has been considered. Interestingly, our simplified kinetic equation corresponding to this model Hamiltonian is transformed into the well-known phenomenological Sumi-Marcus equation. PMID:26147074

  15. 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.

  16. 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

  17. Nonthermal atmospheric rf plasma in one-dimensional spherical coordinates: Asymmetric sheath structure and the discharge mechanism

    SciTech Connect

    Sakiyama, Yukinori; Graves, David B.

    2007-04-01

    We present one-dimensional simulations of atmospheric pressure rf-excited plasma with two concentric spherical electrodes and the inner electrode powered. The gas used is helium with 0.1% nitrogen addition. The gap distance between the inner and outer electrodes is 1 mm. The coupled continuity equations and electron energy equation are solved with Poisson's equation using the finite element method. A mode transition is observed in the discharge power-voltage curve between 1 and 1000 mW. In the low power mode, ionization rate peaks only near the inner electrode. The electron-impact excitation and ionization rates peak in the local cathodic phase. In the high power mode, the rate of ionization peaks near the outer electrode as well as the inner electrode. The inner sheath significantly shrinks and the direct electron-impact ionization is the primary ionization reaction near the inner electrode. The ionization rate near the outer electrode is due to Ohmic sheath oscillation heating of electrons, resulting in a peak in metastable helium creation. Penning ionization is the major ionization reaction near the outer electrode. Thus, two different ionization mechanisms coexist near the inner and outer electrodes. Electron heating near the outer electrode may have implications for surface processing in atmospheric pressure microdischarges. The local field approximation (LFA) in high power mode fails to predict the ionization rate peak near the outer electrode due to its inability to properly account for electron diffusion in the presence of both a strong electric field and electron density gradient. However, use of the LFA is adequate to model the low power mode and it correctly predicts the existence of the mode transition.

  18. 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. PMID:27120483

  19. An innovative method for coordinate measuring machine one-dimensional self-calibration with simplified experimental process.

    PubMed

    Fang, Cheng; Butler, David Lee

    2013-05-01

    In this paper, an innovative method for CMM (Coordinate Measuring Machine) self-calibration is proposed. In contrast to conventional CMM calibration that relies heavily on a high precision reference standard such as a laser interferometer, the proposed calibration method is based on a low-cost artefact which is fabricated with commercially available precision ball bearings. By optimizing the mathematical model and rearranging the data sampling positions, the experimental process and data analysis can be simplified. In mathematical expression, the samples can be minimized by eliminating the redundant equations among those configured by the experimental data array. The section lengths of the artefact are measured at arranged positions, with which an equation set can be configured to determine the measurement errors at the corresponding positions. With the proposed method, the equation set is short of one equation, which can be supplemented by either measuring the total length of the artefact with a higher-precision CMM or calibrating the single point error at the extreme position with a laser interferometer. In this paper, the latter is selected. With spline interpolation, the error compensation curve can be determined. To verify the proposed method, a simple calibration system was set up on a commercial CMM. Experimental results showed that with the error compensation curve uncertainty of the measurement can be reduced to 50%. PMID:23742585

  20. Porphyrin coordination polymer nanospheres and nanorods

    SciTech Connect

    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.

  1. 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. PMID:25854166

  2. 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.

  3. 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.

  4. In situ single-crystal to single-crystal (SCSC) transformation of the one-dimensional polymer catena-poly[[diaqua(sulfato)copper(II)]-μ₂-glycine] into the two-dimensional polymer poly[μ₂-glycine-μ₄-sulfato-copper(II)].

    PubMed

    Stoeckli-Evans, Helen; Sereda, Olha; Neels, Antonia; Oguey, Sebastien; Ionescu, Catherine; Jacquier, Yvan

    2014-11-01

    The one-dimensional coordination polymer catena-poly[diaqua(sulfato-κO)copper(II)]-μ2-glycine-κ(2)O:O'], [Cu(SO4)(C2H5NO2)(H2O)2]n, (I), was synthesized by slow evaporation under vacuum of a saturated aqueous equimolar mixture of copper(II) sulfate and glycine. On heating the same blue crystal of this complex to 435 K in an oven, its aspect changed to a very pale blue and crystal structure analysis indicated that it had transformed into the two-dimensional coordination polymer poly[(μ2-glycine-κ(2)O:O')(μ4-sulfato-κ(4)O:O':O'':O'')copper(II)], [Cu(SO4)(C2H5NO2)]n, (II). In (I), the Cu(II) cation has a pentacoordinate square-pyramidal coordination environment. It is coordinated by two water molecules and two O atoms of bridging glycine carboxylate groups in the basal plane, and by a sulfate O atom in the apical position. In complex (II), the Cu(II) cation has an octahedral coordination environment. It is coordinated by four sulfate O atoms, one of which bridges two Cu(II) cations, and two O atoms of bridging glycine carboxylate groups. In the crystal structure of (I), the one-dimensional polymers, extending along [001], are linked via N-H···O, O-H···O and bifurcated N-H···O,O hydrogen bonds, forming a three-dimensional framework. In the crystal structure of (II), the two-dimensional networks are linked via bifurcated N-H···O,O hydrogen bonds involving the sulfate O atoms, forming a three-dimensional framework. In the crystal structures of both compounds, there are C-H···O hydrogen bonds present, which reinforce the three-dimensional frameworks. PMID:25370107

  5. Correlation between Structure and Vapor Sorption in Semi-crystalline Polymers: One Dimensional Nano-Swelling Measured using iVSANS

    NASA Astrophysics Data System (ADS)

    Kim, Man-Ho; Charles, Glinka J.

    2009-03-01

    Changes in the nanoscale structure of semi-crystalline polyethylene (PE) resulting from the sorption/diffusion of n-hexane vapor have been observed and quantified by the in-situ Vapor Sorption Small-Angle Neutron Scattering (iVSANS). We found a linear correlation between vapor sorption/diffusion and nano-expansion of the amorphous phase within the lamellae confined in the spherulite domains. The diffusion coefficient measurements using (iVASNS) revealed that the molecular packing in amorphous phase is different between low and high crystalline PE. Furthermore, the one dimensional expansion is reversible during cyclic sorption and desorption processes, suggesting that the crystals were not destroyed unlike the inference of a previous study. These results are relevant to processing methods for tailoring the barrier and sorptive properties of semicrystalline polymer films. * This work utilized facilities supported in part by the National Science Foundation under Agreement No. DMR-0454672. The author, MHK, acknowledges support by the KIST (2E20844).

  6. Modular Synthesis of Functional Nanoscale Coordination Polymers

    PubMed Central

    Lin, Wenbin; Rieter, William J.; Taylor, Kathryn M. L.

    2013-01-01

    The coordination-directed assembly of metal ions and organic bridging ligands has afforded a variety of bulk-scale hybrid materials with promising characteristics for a number of practical applications, such as gas storage and heterogeneous catalysis. Recently, so-called coordination polymers have emerged as a new class of hybrid nanomaterials. Herein, we highlight advances in the syntheses of both amorphous and crystalline nanoscale coordination polymers. We also illustrate how scaling down these materials to the nano-regime has enabled their use in a broad range of applications including catalysis, spin-crossover, templating, biosensing, biomedical imaging, and anticancer drug delivery. These results underscore the exciting opportunities of developing next-generation functional nanomaterials based on molecular components. PMID:19065692

  7. Linkage isomerism in coordination polymers.

    PubMed

    Benmansour, Samia; Setifi, Fatima; Triki, Smail; Gómez-García, Carlos J

    2012-02-20

    The use of the recently prepared polynitrile ligand tcnopr3OH(-) ([(NC)(2)CC(OCH(2)CH(2)CH(2)OH)C(CN)(2)](-)) with different salts of Fe(II), Co(II), and Ni(II) has led to a very rare example of linkage isomerism in a coordination chain. These pairs of linkage isomers can be formulated as [M(tcnopr3OH-κN,κO)(2)(H(2)O)(2)]; M = Fe (1), Co (3), and Ni(5) and [M(tcnopr3OH-κN,κN')(2)(H(2)O)(2)]; M = Fe (2), Co (4), and Ni (6). Compounds 1-2, 3-4, and 5-6 are three pairs of linkage isomers since they present the same formula and chain structure and they only differ in the connectivity of the polynitrile ligand bridging the metal ions in the chain: through a N and an O atom (1κN:2κO-isomer) or through two N atoms (1κN:2κN'-isomer). The magnetic properties show, as expected, very similar behaviors for both isomers. PMID:22296602

  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. Responsive lanthanide coordination polymer for hydrogen sulfide.

    PubMed

    Liu, Baoxia; Chen, Yang

    2013-11-19

    Metal organic coordination polymers have received great attention because of their flexible compositions and architecture. Here, we report the design and synthesis of a responsive lanthanide coordination polymer (LCP) for hydrogen sulfide (H2S), utilizing self-assembling of biomolecule nucleotide with luminescent terbium ion (Tb(3+)) and sensitizing silver ion (Ag(+)) in aqueous solution. LCP is highly fluorescent due to the inclusion of Ag(+) ions, which sensitized the fluorescence of Tb(3+) ions. H2S can strongly quench the fluorescence of LCP through its high affinity for Ag(+) ions. Such configurated LCP material from initial building blocks showed high sensitivity and selectivity for H2S and was applied to the determination of H2S in human serum. LCP with Tb(3+) ions also has a long fluorescence lifetime, which allows for time-resolved fluorescence assays, possessing particular advantages to probing H2S in biological systems with autofluorescence. PMID:24191713

  10. 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…

  11. Synthesis, crystal structure and luminescence properties of lanthanide coordination polymers with a new semirigid bridging thenylsalicylamide ligand

    SciTech Connect

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

    2013-09-15

    Two new lanthanide coordination polymers based on a semirigid bridging thenylsalicylamide ligand ([Ln{sub 2}L{sub 3}(NO{sub 3}){sub 6}]·(C{sub 4}H{sub 8}O{sub 2}){sub 2}){sub ∞} were obtained and characterized by elemental analysis, X-ray diffraction, IR and TGA measurements. The two compounds are isostructure and possess one dimensional trapezoid ladder-like chain built up from the connection of isolated LnO{sub 3}(NO{sub 3}){sub 3} polyhedra (distorted monocapped antisquare prism) through the ligand. The photoluminescence analysis suggest that there is an efficient ligand-to-Ln(III) energy transfer in Tb(III) complex and the ligand is an efficient “antenna” for Tb(III). From a more general perspective, the results demonstrated herein provide the possibility of controlling the formation of the desired lanthanide coordination structure to enrich the crystal engineering strategy and enlarge the arsenal for developing excellent luminescent lanthanide coordination polymers. - Graphical abstract: We present herein one dimensional lanthanide coordination polymers of a new semirigid exo-bidentate ligand which not only display interesting structures but also possess strong luminescence properties. Display Omitted - Highlights: • We present lanthanide coordination polymers of a new semirigid exo-bidentate ligand. • The lanthanide coordination polymers exhibit interesting structures. • The luminescent properties of Tb(III) complexes are discussed in detail.

  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

    2016-04-12

    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. 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

    NASA Astrophysics Data System (ADS)

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

    2013-09-01

    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.

  14. Two different anionic manganese(II) coordination polymers constructed through dicyanamide coordination bridges.

    PubMed

    Wang, Hui Ting

    2015-10-01

    In order to explore new metal coordination polymers and to search for new types of ferroelectrics among hybrid coordination polymers, two manganese dicyanamide complexes, poly[tetramethylammonium [di-μ3-dicyanamido-κ(6)N(1):N(3):N(5)-tri-μ2-dicyanamido-κ(6)N(1):N(5)-dimanganese(II)

  15. Proton-Conducting Magnetic Coordination Polymers.

    PubMed

    Biswas, Soumava; Jena, Himanshu Sekhar; Sanda, Suresh; Konar, Sanjit

    2015-09-21

    Three isostructural lanthanide-based two- dimensional coordination polymers (CPs) {[Ln2(L)3(H2O)2]n⋅2n CH3OH)⋅2n H2O} (Ln=Gd(3+) (1), Tb(3+) (2), Dy(3+) (3); H2L=cyclobutane-1,1-dicarboxylic acid) were synthesized by using a low molecular weight dicarboxylate ligand and characterized. Single-crystal structure analysis showed that in complexes 1-3 lanthanide centers are connected by μ3-bridging cyclobutanedicarboxylate ligands along the c axis to form a rod-shaped infinite 1D coordination chain, which is further linked with nearby chains by μ4-connected cyclobutanedicarboxylate ligands to form 2D CPs in the bc plane. Viewing the packing of the complexes down the b axis reveals that the lattice methanol molecules are located in the interlayer space between the adjacent 2D layers and form H-bonds with lattice and coordinated water molecules to form 1D chains. Magnetic properties of complexes 1-3 were thoroughly investigated. Complex 1 exhibits dominant ferromagnetic interaction between two nearby gadolinium centers and also acts as a cryogenic magnetic refrigerant having a significant magnetic entropy change of -ΔSm=32.8 J kg(-1) K(-1) for ΔH=7 T at 4 K (calculated from isothermal magnetization data). Complex 3 shows slow relaxation of magnetization below 10 K. Impedance analysis revealed that the complexes show humidity-dependent proton conductivity (σ=1.5×10(-5) S cm(-1) for 1, σ=2.07×10(-4) S cm(-1) for 2, and σ=1.1×10(-3) S cm(-1) for 3) at elevated temperature (>75 °C). They retain the conductivity for up to 10 h at high temperature and high humidity. Furthermore, the proton conductivity results were correlated with the number of water molecules from the water-vapor adsorption measurements. Water-vapor adsorption studies showed hysteretic and two-step water vapor adsorption (182,000 μL g(-1) for 1, 184,000 μL g(-1) for 2, and 1,874,000 μL g(-1) for 3) in the experimental pressure range. Simulation of water-vapor adsorption by the Monte Carlo method (for 1) confirmed the high density of adsorbed water molecules, preferentially in the interlayer space between the 2D layers. PMID:26274020

  16. Coordination polymers of uranium(IV) terephthalates.

    PubMed

    Falaise, Clément; Assen, Ayalew; Mihalcea, Ionut; Volkringer, Christophe; Mesbah, Adel; Dacheux, Nicolas; Loiseau, Thierry

    2015-02-14

    A series of tetravalent uranium terephthalates has been solvothermally synthesized in the solvent N,N-dimethylformamide (DMF) at temperature 100-150 °C with different water amounts. Composition diagrams have been determined for the U(4+) metallic cation in the presence of terephthalic acid, and their crystal structures revealed the occurrence of two- or three-dimensional coordination polymers. In the absence of water, a mixture of two polytypes T-U(2)Cl(2)(bdc)(3)(DMF)(4) (1) and M-U(2)Cl(2)(bdc)(3)(DMF)(4) (2) has been identified at low temperature (100-110 °C) for bdc/U = 1-4 (bdc = terephthalate linker). Their structures are built up from isolated uranium centers in nine-fold coordination, surrounded by 6 carboxyl oxygen atoms, 2 oxygen atoms coming from DMF molecules and one chlorine atom. The uranium cations are linked to each other through the bdc ligand in order to generate a 3D framework. By increasing the temperature (130-150 °C), a layered like compound has been isolated, U(2)(bdc)(4)(DMF)(4) (3). It is composed of discrete actinide centers in ten-fold coordination, with 8 carboxyl oxygen atoms and 2 oxygen atoms from DMF molecules. The connection of the UO10 units with the bdc linkers generates 2D sheets. When a controlled amount of water is added to the reaction medium, the crystallization of the UiO-66-like U(6)O(4)(OH)(4)(H(2)O)(6)(bdc)(6)·10DMF solid (containing a hexanuclear sub-unit) is observed for temperature 110-120 °C and the H(2)O/U molar ratio in the range of 2-10. At higher temperature (140-150 °C), a distinct phase appeared, U(2)O(2)(bdc)(2)(DMF) (4), which consists of infinite chains of uranium centers, linked to each other via the bdc ligands. Higher water contents led to the formation of urania UO(2). PMID:25428593

  17. 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.

  18. 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

    2016-04-19

    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

  19. Coordination polymer nanobelts for nucleic acid detection.

    PubMed

    Luo, Yonglan; Liao, Fang; Lu, Wenbo; Chang, Guohui; Sun, Xuping

    2011-05-13

    Herein, coordination polymer nanobelts (CPNBs) were prepared rapidly and on a large scale, by directly mixing aqueous AgNO(3) solution and an ethanol solution of 4, 4'-bipyridine at room temperature. The application of such CPNBs as a fluorescent sensing platform for nucleic acid detection was further explored. CPNB is a π-rich structure, the strong π-π stacking interactions between unpaired DNA bases and CPNB leads to adsorption of fluorescently labeled single-stranded DNA (ssDNA) accompanied by 66% fluorescence quenching. However, the presence of target ssDNA will hybridize with the probe. The resultant helix cannot be adsorbed by CPNB due to its rigid conformation and the absence of unpaired DNA bases. Thus, a significant fluorescence enhancement, 73% fluorescence recovery, was observed in DNA detection as long as the target exists. The present system has excellent sensitivity; a substantial fluorescence enhancement was observed when the concentration of the target was as low as 5 nM. It also exhibits outstanding discrimination ability down to a single-base mismatch. PMID:21430328

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

    NASA Astrophysics Data System (ADS)

    Suo, Tongchuan; Whitmore, Mark D.

    2014-11-01

    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 σ1/3 scaling is a result of keeping only excluded volume interactions: when the full potential is included, the dependence is faster and more complicated than σ1/3. In fact, there does not appear to be any regime in which the layer thickness scales in the combination Nσ1/3. We also compare the results for two different solvents with each other, and with earlier Θ solvent results.

  1. 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.

  2. 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

  3. Coordination polymers from a highly flexible alkyldiamine-derived ligand: structure, magnetism and gas adsorption studies.

    PubMed

    Hawes, Chris S; Chilton, Nicholas F; Moubaraki, Boujemaa; Knowles, Gregory P; Chaffee, Alan L; Murray, Keith S; Batten, Stuart R; Turner, David R

    2015-10-28

    The synthesis and structural, magnetic and gas adsorption properties of a series of coordination polymer materials prepared from a new, highly flexible and internally functional tetrakis-carboxybenzyl ligand H4L derived from 1,2-diaminoethane have been examined. The compound poly-[Ni3(HL)2(OH2)4]·2DMF·2H2O 1, a two-dimensional coordination polymer, contains aqua- and carboxylato-bridged trinuclear Ni(II) clusters, the magnetic behaviour of which can be well described through experimental fitting and ab initio modelling to a ferromagnetically coupled trimer with a positive axial zero-field splitting parameter D. Compound poly-[Zn2L]·2DMF·3H2O 2, a three-dimensional coordination polymer displaying frl topology, contains large and well-defined solvent channels, which are shown to collapse on solvent exchange or drying. Compound poly-[Zn2(L)(DMSO)4]·3DMSO·3H2O 3, a highly solvated two-dimensional coordination polymer, displayed poor stability characteristics, however a structurally related material poly-[Zn2(L)(bpe)(DMSO)2]·DMSO·3H2O 4 was prepared under similar synthetic conditions by including the 1,2-bis(4-pyridyl)ethylene bpe co-ligand. Compound 4, containing small one-dimensional solvent channels, shows excellent structural resilience to solvent exchange and evacuation, and the evacuated material displays selective adsorption of CO2 over N2 at 273 K in the pressure range 0-1 atm. Each of the coordination polymers displays subtle differences in the conformation and binding mode of the ligand species, with switching between two distinct conformers (X-shaped and H-shaped), as well as a variable protonation state of the central core, with significant effects on the resulting network structures and physical properties of the materials. PMID:26223788

  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 synthesized and incorporated in different NCPs using various binding metals. A moderate drug loading of 44.9 wt% was determined for Zr-based NCPs. This drug loading, along with a diameter less than 200 nm, make these particles promising candidates for further stabilization via lipid encapsulation.

  5. 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.

  6. Anions behaviors for the dimensionalities of coordination polymers based on poly(imidazole) ligands

    NASA Astrophysics Data System (ADS)

    Pan, Qinhe; Ma, Hong; Li, Zuo-Xi; Hu, Tong-Liang

    2012-03-01

    To explore the influence for the dimensionalities of coordination polymers, in presence of different anions with different behaviors, three new coordination polymers with different dimensionalities have been prepared by reacting M2+ (M = Zn or Co) with two structurally related rod-like poly(imidazole) ligands, 1,4-bis(benzoimidazol-1-yl)-phenyl (L1) and 1,4-bis(imidazol-1-yl)-phenyl (L2). Such three new coordination polymers with different architectures, [Zn(L1)(NO3)2]n (1), {[Zn(L2)2]·2BF4·2HCCl3·2H2O}n (2) and [Co(L2)(SO4)]n (3), have been determined by single-crystal X-ray diffraction analysis and characterized by elemental analysis, and IR analysis. Complex 1 is alternative linked by octahedral Zn centers and the ligand L1 to exhibit a one-dimensional (1D) chain structure. However, complexes 2 and 3 both present layered structures contain a similar -L(ligand)-M(metal)-L-M- chain motifs that found in complex 1. In complex 2, each Zn(II) ion is coordinated by four different L2 to form a undulated sheet. Complex 3 also present a undulated sheet structure, however, they were connected by the SO42- group and the L2 ligands, different from only of the L2 ligands in complex 2. The result indicates that the different anions behaviors could be the great influence on the degree of dimensionality of coordination polymers.

  7. 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.

  8. 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 unsupported (4) argentophilic Ag⋯Ag interactions. • Photoluminescent properties of the complexes may be attributed to intraligand transition of coordinated Hssa ligand.

  9. Synthesis and characterization of coordination polymer nanoparticles as radioisotope tracers.

    PubMed

    Oh, Min-Seok; Jung, Sung-Hee; Choi, Seong-Ho

    2014-02-01

    Coordination polymer nanoparticles (NPs) with gamma-emitting nuclide (Au-198), 411keV, 675keV, 822keV and 1087keV were prepared by coordination polymerization of the radioisotope Au(3+) ions and 1,4-bis(imidazole-1-ylmethyl)benzene in an aqueous solution at room temperature for 3h. Here, the radioisotope Au(3+) ions were prepared by dissolution of Au-198 foil, which was prepared by neutron irradiation from the HANARO reactor, in KCN aqueous solution. The successful synthesis of the radioisotope coordination polymer NPs with 5±0.5nm was confirmed via UV-vis spectroscopy, Transmission Electron Microscopy (TEM), Energy Dispersive X-ray Spectrometry (EDXS), Thermogravimetric analysis (TGA), and Gamma spectroscopy analysis. The synthesized radioisotope coordination polymer NPs can be used as radiotracers in science, engineering, and industrial fields. PMID:24362459

  10. Synthesis of Nanoscale Coordination Polymers in Femtoliter Reactors on Surfaces.

    PubMed

    Guardingo, Mireia; González-Monje, Pablo; Novio, Fernando; Bellido, Elena; Busqué, Félix; Molnár, Gábor; Bousseksou, Azzedine; Ruiz-Molina, Daniel

    2016-03-22

    In the present work, AFM-assisted lithography was used to perform the synthesis of a coordination polymer inside femtoliter droplets deposited on surfaces. For this, solutions of the metal salt and the organic ligand were independently transferred to adjacent tips of the same AFM probe array and were sequentially delivered on the same position of the surface, creating femtoliter-sized reaction vessels where the coordination reaction and particle growth occurred. Alternatively, the two reagents were mixed in the cantilever array by loading an excess of the inks, and transferred to the surface immediately after, before the precipitation of the coordination polymer took place. The in situ synthesis allowed the reproducible obtaining of round-shaped coordination polymer nanostructures with control over their XY positioning on the surface, as characterized by microscopy and spectroscopy techniques. PMID:26839077

  11. One-Dimensional Heat Conduction

    Energy Science and Technology Software Center (ESTSC)

    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

  12. Photoluminescent lead(II) coordination polymers stabilised by bifunctional organoarsonate ligands

    NASA Astrophysics Data System (ADS)

    Lin, Jian-Di; Onet, Camelia I.; Schmitt, Wolfgang

    2015-04-01

    Four lead(II) coordination polymers were isolated under hydro(solvo)thermal conditions. The applied synthetic methodology takes advantage of the coordination behaviour of a new bifunctional organoarsonate ligand, 4-(1, 2, 4-triazol-4-yl)phenylarsonic acid (H2TPAA) and involves the variation of lead(II) reactants, metal/ligand mole ratios, and solvents. The constitutional composition of the four lead(II) coordination polymers can be formulated as [Pb2(TPAA)(HTPAA)(NO3)]·6H2O (1), [Pb2(TPAA)(HTPAA)2]·DMF·0.5H2O (DMF = N, N-Dimethylformamide) (2), [Pb2Cl2(TPAA)H2O] (3), and [Pb3Cl(TPAA)(HTPAA)2H2O]Cl (4). The compounds were characterized by single-crystal and powder x-ray diffraction techniques, thermogravimetric analyses, infra-red spectroscopy, and elemental analyses. Single-crystal x-ray diffraction reveals that 1 and 2 represent two-dimensional (2D) layered structures whilst 3 and 4 form three-dimensional (3D) frameworks. The structures of 1, 2, and 4 contain one-dimensional (1D) {PbII/AsO3} substructures, while 3 is composed of 2D {PbII/AsO3} arrays. Besides their interesting topologies, 1-4 all exhibit photoluminescence properties in the solid state at room temperature.

  13. One-dimensional Quantum Fluids

    NASA Astrophysics Data System (ADS)

    Gervais, Guillaume

    2015-03-01

    Fifty year ago, Joachim Mazdak Luttinger generalized the Tomonaga theory of interactions in a one-dimensional metal and show that the prior restrictions imposed by Tomonaga were not necessary. This model is now known as the Tomonaga- Luttinger liquid model (TLL) and most remarkably it does have mathematically exact solutions. In the case of electrons, it predicts that the spin and charge sector should separate, with each of them propagating with their own velocities. While there has been many attempts (some with great success) to observe TLL behaviour in clean quantum wires designed on an ultra-clean semiconductor platform, overall the Luttinger physics is experimentally still in its infancy. For instance, little is known regarding the 1D physics in a strongly-interacting neutral system, whether from the point-of-view of TLL theory or even localization physics. Helium-4, the paradigm superfluid, and Helium-3, the paradigm Fermi liquid, should in principleboth become Luttinger liquids if taken to the one-dimensional limit. In the bosonic case, this is supported by large-scale Quantum Monte Carlo simulations which found that a lengthscale of ~ 2 nm is sufficient for the system to crossover to the 1D regime and display universal Luttinger scaling. At McGill University, an experiment has been constructed to measure the liquid helium mass flow through a single nanopore. The technique consists of drilling a single nanopore in a SiN membrane using a TEM, and then applying a pressure gradient across the membrane. Previously published data in 45nm diameter hole determined the superfluid critical velocity to be close to the limit set by the Feynman vortex rings model. More recent work performed on nanopores with radii as small as 3 nm (and a length of 30nm) show the critical exponent for superfluid velocity to significantly deviate from its bulk value, 2/3. This is an important hint for the crossing over to the one-dimensional state in a strongly-correlated bosonic liquid.

  14. Cadmium coordination polymers based on flexible bis(imidazole) ligands: A rare example for doublet of doublet cadmium polyhedron arrangements

    NASA Astrophysics Data System (ADS)

    Babu, Chatla Naga; Suresh, Paladugu; Sampath, Natarajan; Prabusankar, Ganesan

    2014-10-01

    Two one-dimensional (1D) coordination polymers, [{LCd(O2NO)2(DMF)2}2{(LCd(O2NO)2(DMF))(DMF)}2]n (1) and [L‧Cd(O2NO)(ONO2)(DMF)2]n (2), having an aryl chromophoric unit and a flexible bis(imidazole) tail, 9,10-bis{(benzimidazol)methyl}anthracene (L) and 1,4-bis{(imidazol)methyl}benzene (L‧), with various coordination modes have been obtained. Molecule 1 represents the first structurally characterized one dimensional coordination polymer consisting of both hepta- and octa-coordinated cadmium centers. In 1, two distorted pentagonal bipyramidal Cd(II) centers and two distorted triangular dodecahedral Cd(II) centers are alternately arranged via bridging bidentate N,N-chelating ligand, L. Whereas, a distorted pentagonal bipyramidal Cd(II) center is formed in 2 where the sterically less crowded L‧ serves as a bridging bidentate N,N-chelating ligand. Furthermore, 1 and 2 have been characterized by elemental analysis, FT-IR, 1H NMR, UV-vis and fluorescent techniques.

  15. One-dimensional wave turbulence

    NASA Astrophysics Data System (ADS)

    Zakharov, Vladimir; Dias, Frédéric; Pushkarev, Andrei

    2004-08-01

    The problem of turbulence is one of the central problems in theoretical physics. While the theory of fully developed turbulence has been widely studied, the theory of wave turbulence has been less studied, partly because it developed later. Wave turbulence takes place in physical systems of nonlinear dispersive waves. In most applications nonlinearity is small and dispersive wave interactions are weak. The weak turbulence theory is a method for a statistical description of weakly nonlinear interacting waves with random phases. It is not surprising that the theory of weak wave turbulence began to develop in connection with some problems of plasma physics as well as of wind waves. The present review is restricted to one-dimensional wave turbulence, essentially because finer computational grids can be used in numerical computations. Most of the review is devoted to wave turbulence in various wave equations, and in particular in a simple one-dimensional model of wave turbulence introduced by Majda, McLaughlin and Tabak in 1997. All the considered equations are model equations, but consequences on physical systems such as ocean waves are discussed as well. The main conclusion is that the range in which the theory of pure weak turbulence is valid is narrow. In general, wave turbulence is not completely weak. Together with the weak turbulence component, it can include coherent structures, such as solitons, quasisolitons, collapses or broad collapses. As a result, weak and strong turbulence coexist. In situations where coherent structures cannot develop, weak turbulence dominates. Even though this is primarily a review paper, new results are presented as well, especially on self-organized criticality and on quasisolitonic turbulence.

  16. 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

  17. 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

  18. 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.

  19. EXAFS study of some coordination polymers of copper

    NASA Astrophysics Data System (ADS)

    Deshpande, A. P.

    1995-02-01

    The EXAFS spectra for (1) azelaic acid bis phenyl hydrazide, (2) azelaic acid bis 2,4 dinitro phenyl hydrazide and (3) sebacic acid bis phenyl hydrazide coordination polymers of copper were obtained using the EXAFS facility of the Daresbury Laboratory. The EXAFS analysis revealed that copper is surrounded by four nitrogen and two oxygen atoms in the first coordination shell, while the second coordination shell consists of two carbon atoms. This information suggests the octahedral geometry for the repeating units of polymeric complexes, in contrast to the square planar geometry previously proposed.

  20. Layered structures and nanosheets of pyrimidinethiolate coordination polymers.

    PubMed

    Beldon, P J; Tominaka, S; Singh, P; Saha Dasgupta, T; Bithell, E G; Cheetham, A K

    2014-04-18

    We report the synthesis, crystal structure and exfoliation of a new member of an important family of layered compounds: lamellar pyrimidinethiolate coordination polymers. Conductivity measurements and DFT calculations of iron(II) pyrimidine-2-thiolate show that this material and a related compound are insulators. PMID:24599380

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

    DOEpatents

    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.

  2. Cobalt(II) coordination polymer exhibiting single-ion-magnet-type field-induced slow relaxation behavior.

    PubMed

    Zhu, Yuan-Yuan; Zhu, Ming-Sheng; Yin, Ting-Ting; Meng, Yin-Shan; Wu, Zong-Quan; Zhang, Yi-Quan; Gao, Song

    2015-04-20

    A one-dimensional cobalt(II) coordination polymer, [Co(btm)2(SCN)2H2O]n [btm = bis(1H-1,2,4-triazol-1-yl)methane], was synthesized and magnetically characterized. The isolated slightly distorted octahedral Co(II) ion displays field-induced slow relaxation with a big positive axial and a negative rhombic magnetic anisotropy (D = 93.9 cm(-1) and E = -10.5 cm(-1)), and the anisotropy energy barrier is 45.4 K. PMID:25853410

  3. Neutron Scattering from a Coordination Polymer Spin-1/2 Ladder

    NASA Astrophysics Data System (ADS)

    Hong, Tao; Turnbull, M. M.; Schmidt, K. P.; Qiu, Y.; Broholm, C.

    2005-03-01

    Charge and spin dynamics in Heisenberg spin 1/2 ladders have attracted much attention because of their possible relevance to high-TC superconductivity. Coordination polymer magnets are excellent systems in which to explore quantum magnetism. However, several previous coordination polymers thought to be spin ladders have turned out to contain alternating spin chains or dimers coupled in two or three dimensions. Here we investigate another possible spin ladder system Cu(Quinoxaline)Br2, in which neutral Cu2Br4 dimers appear linked to adjacent dimers by bridging quinoxaline molecules along the monoclinic b axis. Inelastic neutron scattering measurements were carried out on a powder sample. The singular onset of magnetic scattering above a finite gap, δ=1.9 meV, in the spectrum indicates that the material is magnetically one-dimensional. Consideration of the crystal structure suggests that Cu(Quinoxaline)Br2 in that case should be a spin ladder system. We also calculated the one-triplon contribution to the inelastic magnetic scattering by the method of continuous unitary transformation. The excellent agreement with the experimental data supports that conclusion. Final confirmation that Cu(Quinoxaline)Br2 is a spin ladder will require single crystal neutron scattering experiments.

  4. One-dimensional silicone nanofilaments.

    PubMed

    Artus, Georg R J; Seeger, Stefan

    2014-07-01

    A decade ago one-dimensional silicone nanofilaments (1D-SNF) such as fibres and wires were described for the first time. Since then, the exploration of 1D-SNF has led to remarkable advancements with respect to material science and surface science: one-, two- and three-dimensional nanostructures of silicone were unknown before. The discovery of silicone nanostructures marks a turning point in the research on the silicone material at the nanoscale. Coatings made of 1D-SNF are among the most superhydrophobic surfaces known today. They are free of fluorine, can be applied to a large range of technologically important materials and their properties can be modified chemically. This opens the way to many interesting applications such as water harvesting, superoleophobicity, separation of oil and water, patterned wettability and storage and manipulation of data on a surface. Because of their high surface area, coatings consisting of 1D-SNF are used for protein adsorption experiments and as carrier systems for catalytically active nanoparticles. This paper reviews the current knowledge relating to the broad development of 1D-SNF technologies. Common preparation and coating techniques are presented along with a comparison and discussion of the published coating parameters to provide an insight on how these affect the topography of the 1D-SNF or coating. The proposed mechanisms of growth are presented, and their potentials and shortcomings are discussed. We introduce all explored applications and finally identify future prospects and potentials of 1D-SNF with respect to applications in material science and surface science. PMID:24742356

  5. Diamondoid-Type Copper Coordination Polymers Containing Soft Cyclodiphosphazane Ligands.

    PubMed

    Siddiqui, Mujahuddin M; Mague, Joel T; Balakrishna, Maravanji S

    2015-07-01

    Three novel coordination polymers have been synthesized by reacting cis- and trans-alkyne-appended cyclodiphosphazanes with CuX (X = Br, I) salts. The reaction of cis-[(PhC≡CP)2(μ-N(t)Bu)2] (1) with CuBr in a 1:3 molar ratio gave a 3D coordination polymer, [{Cu4(μ3-Br)4}{(cis-(PhC≡CP)2(μ-N(t)Bu)2)Cu4(μ2-Br)4(cis-(PhC≡CP)2(μ-N(t)Bu)2)}4]n (3), having diamondoid topology with an unprecedented copper alkyne coordination, whereas the reaction of 1 with CuI in a 1:4 molar ratio afforded a 1D polymeric complex, [{Cu4(μ3-I)4}(NCCH3)2{cis-(PhC≡CP)2(μ-N(t)Bu)2}2]n (4). In contrast, the reaction of trans-[(PhC≡CP)2(μ-N(t)Bu)2] (2) with CuI was found to be independent of stoichiometry and afforded a 3D coordination polymer, [{Cu4(μ3-I)4}{trans-(PhC≡CP)2(μ-N(t)Bu)2}2]n (5), exclusively. PMID:26086906

  6. Multifunctional sensing ability of a new Pt/Zn-based luminescent coordination polymer.

    PubMed

    Kobayashi, Atsushi; Hara, Hirofumi; Noro, Shin-Ichiro; Kato, Masako

    2010-04-14

    We synthesized a new Pt/Zn-based coordination polymer, {Zn[Pt(CN)(2)(5,5'-dcbpy)].4H(2)O}(n), (5,5'-H(2)dcbpy = 5,5'-dicarboxy-2,2'-bipyridine), which exhibits reversible colour changes in response to temperature change or exposure to chemical vapours and liquids. Such chromic behaviour shows promise for sensing not only changes in temperature but also for detecting chemical solvents and vapours. The single crystal X-ray structure indicates that one-dimensional coordination polymeric chains formed by an alternating arrangement of [Zn(H(2)O)(3)](2+) and [Pt(CN)(2)(5,5'-dcbpy)](2-) stacked to produce moderate metallophilic interactions between the Pt(ii) ions. Thermogravimetric analysis and water vapour adsorption measurements show that both the crystal water and water coordinated to Zn(ii) ions can be removed and re-adsorbed reversibly by heating or under vacuum. Emission spectra at various temperatures and/or in the presence of vapours or liquids reveal that the complex exhibits thermochromic and solvatochromic-like behaviours, with the emission band shifting between 616 and 671 nm. IR spectroscopy and powder X-ray diffraction measurements suggest that this multichromic behaviour is a result of the cooperative phenomena of water adsorption/desorption around the Zn(ii) ions and the modification of the metallophilic interaction. PMID:20379533

  7. 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. PMID:26493879

  8. 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.

  9. 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

  10. Chiral Ni(II) coordination polymers: structure-driven effects of temperature and polyvinylpyrrolidone.

    PubMed

    Yin, Yan-Yan; Ma, Jian-Gong; Niu, Zheng; Cao, Xiao-Chang; Shi, Wei; Cheng, Peng

    2012-04-16

    Chiral Ni(II) coordination compounds with structures of [NiL(H(2)O)(3)] (1) and {[NiL(H(2)O)]·0.5H(2)O}(n) (2) (H(2)L = thiazolidine 2,4-dicaboxlic acid) have been successfully synthesized by the reaction of Ni(CH(3)COO)(2)·4H(2)O and H(2)L in aqueous solution at 25 and 80 °C, respectively. From the same procedure with polyvinylpyrrolidone (PVP) as a surfactant, another corresponding micrometer-scale Ni(II) coordination polymer, {[NiL(H(2)O)(2)]·H(2)O}(n) (3), has been obtained at both 25 and 80 °C, which shows a different structure (one-dimensional, 1D) than both 1 (discrete molecule) and 2 (3D). The conversions of structures and conformations are directed by temperature and surfactant (PVP), as confirmed by powder and single-crystal X-ray diffraction. Circular Dichroism (CD) and Second Harmonic Generation (SHG) measurements of the products have been investigated as well, which indicate the potential applications of these products in chiral and nonlinear optical (NLO) areas. PMID:22458476

  11. 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.

  12. Homochiral coordination polymers constructed from aminocarboxylate derivates: Effect of bipyridine on the amidation reaction

    SciTech Connect

    Chen Jianshan; Sheng Tianlu; Hu Shengmin; Xiang Shengchang; Fu Ruibiao; Zhu Qilong; Wu Xintao

    2012-08-15

    Using aminocarboxylate derivates (S)-N-(4-cyanobenzoic)-glutamic acid (denoted as cbg, 1a) and (S)-N-(4-nitrobenzoic)-glutamic acid (denoted as nbg, 1b) as chiral ligands, five new homochiral coordination polymers formulated as [Cu(cbg)(H{sub 2}O){sub 2}]{sub n} (3), [Cu(cbop){sub 2}(4,4 Prime -bipy)(H{sub 2}O)]{sub n} (4) (cbop=(S)-N-(4-cyanobenzoic)-5-oxoproline, 4,4 Prime -bipy=4,4 Prime -bipyridine), {l_brace}[Cu(nbop){sub 2}(4,4 Prime -bipy)]{center_dot}4H{sub 2}O{r_brace}{sub n} (5) (nbop=(S)-N-(4-nitrobenzoic)-5-oxoproline), {l_brace}[Cd(nbop){sub 2}(4,4 Prime -bipy)]{center_dot}2H{sub 2}O{r_brace}{sub n} (6), and [Ni(nbop){sub 2}(4,4 Prime -bipy)(H{sub 2}O){sub 2}]{sub n} (7) have been hydrothermally synthesized and structurally characterized. Single-crystal X-ray diffraction study reveals that the original chirality of aminocarboxylate derivates is maintained in all these complexes. Complexes 3, 4, and 7 are one-dimensional infinite chain coordination polymers, while complexes 5 and 6 possess two-dimensional network structures. In situ cyclization of 1a and 1b was taken place in the formation of complexes 4-7, which may be due to the competition of 4,4 Prime -bipyridine with chiral ligands during the coordination process. Preliminary optical behavior investigation indicates that ligands 1a, 1b, and complexes 6, 7 are nonlinear optical active. - Graphical abstract: Using aminocarboxylate derivates as chiral ligands, five new homochiral coordination polymers possessing second harmonic generation activities have been hydrothermally synthesized. Highlights: Black-Right-Pointing-Pointer Two new chiral aminocarboxylate derivates were firstly synthesized. Black-Right-Pointing-Pointer Five new homochiral metal organic complexes were obtained hydrothermally based on these ligands. Black-Right-Pointing-Pointer Intramolecular amidation was taken place on the aminocarboxylate derivates during the formation of these complexes. Black-Right-Pointing-Pointer In situ amidation may be due to the impact of 4,4 Prime -bipyridine. Black-Right-Pointing-Pointer The homochiral complexes are nonlinear optical active.

  13. Microporous coordination polymers as efficient sorbents for air dehumidification.

    PubMed

    Guo, Ping; Wong-Foy, Antek G; Matzger, Adam J

    2014-03-01

    Air drying is a widespread and critical industrial process. Removal of water from air is commonly accomplished by passage through a desiccant such as alumina; modest water capacity and energy intensive regeneration are limitations of currently used sorbents. Microporous coordination polymers (MCPs) are demonstrated here to be efficient desiccants for the dehumidification of air, and a comparison of their capacity, regenerability, and efficiency with commercial activated alumina is conducted. Complete regeneration using dry air with mild heating is achieved. The attainment of high capacity for the adsorption of water coupled to facile regeneration indicates that gas dehumidification may be an important application for MCPs. PMID:24517543

  14. Pore design of two-dimensional coordination polymers toward selective adsorption.

    PubMed

    Hijikata, Yuh; Horike, Satoshi; Sugimoto, Masayuki; Inukai, Munehiro; Fukushima, Tomohiro; Kitagawa, Susumu

    2013-04-01

    We have synthesized four porous coordination polymers (PCPs) using Zn(2+), 4,4'-sulfonyldibenzoate (sdb), and four types of dinitrogen linker ligands, 1,4-diazabicyclo[2,2,2]octane (dabco), 1,4-bis(4-pyridyl)benzene (bpb), 3,6-bis(4-pyridyl)-1,2,4,5-tetrazine (bpt), and 4,4'-bipyridyl (bpy). The bent sdb ligands form a rhombic space connected by zinc paddle-wheel units to form a one-dimensional double chain, and each dinitrogen ligand linked the one-dimensional double chains. There are different assembled structures of two-dimensional sheets with the same connectivities between Zn(2+) and the organic ligands. [Zn2(sdb)2(dabco)]n (1) has a noninterpenetrated and noninterdigitated structure, [Zn2(sdb)2(bpb)]n (2) and [Zn2(sdb)2(bpt)]n (3) have interdigitated structures, and [Zn2(sdb)2(bpy)]n (4) has an interpenetrated structure. The length of the dinitrogen ligands dominated their assembled structures and flexibility, which influence the adsorption properties. The flexible frameworks of 2 and 3 provide different stepwise adsorption behaviors for CO2, CH4, C2H6, and C2H4 affected by their pore diameters and the properties of the gases. Their different adsorption properties were revealed by IR spectroscopy and X-ray analysis under a gas atmosphere. The framework of 4 possesses less flexibility and a smaller void space than the others and a negligible amount of CH4 was adsorbed; however, 4 can adsorb either C2H6 or C2H4 through the gate-opening phenomenon. Measurement of the solid-state (2)H NMR was also carried out to investigate the relationship between the framework structure and the dynamics of bpy with regard to the lower flexibility of 4. We have demonstrated a strategy to control the pore size and assembled structures toward selective adsorption properties of PCPs. PMID:23496290

  15. 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)

  16. (1-Butyl-4-methyl-pyridinium)[Cu(SCN)2]: a coordination polymer and ionic liquid.

    PubMed

    Spielberg, Eike T; Edengeiser, Eugen; Mallick, Bert; Havenith, Martina; Mudring, Anja-Verena

    2014-04-25

    The compound (C4C1py)[Cu(SCN)2], (C4C1py = 1-Butyl-4-methyl-pyridinium), which can be obtained from CuSCN and the ionic liquid (C4C1py)(SCN), turns out to be a new organic-inorganic hybrid material as it qualifies both, as a coordination polymer and an ionic liquid. It features linked [Cu(SCN)2](-) units, in which the thiocyanates bridge the copper ions in a μ1,3-fashion. The resulting one-dimensional chains run along the a axis, separated by the C4C1py counterions. Powder X-ray diffraction not only confirms the single-crystal X-ray structure solution but proves the reformation of the coordination polymer from an isotropic melt. However, the materials shows a complex thermal behavior often encountered for ionic liquids such as a strong tendency to form a supercooled melt. At a relatively high cooling rate, glass formation is observed. When heating this melt in differential scanning calorimetry (DSC) and temperature-dependent polarizing optical microscopy (POM), investigations reveal the existence of a less thermodynamically stable crystalline polymorph. Raman measurements conducted at 10 and 100 °C point towards the formation of polyanionic chain fragments in the melt. Solid-state UV/Vis spectroscopy shows a broad absorption band around 18,870 cm(-1) (530 nm) and another strong one below 20,000 cm(-1) (<500 nm). The latter is attributed to the d(Cu(I))→π*(SCN)-MLCT (metal-to-ligand charge transfer) transition within the coordination polymer yielding an energy gap of 2.4 eV. At room temperature and upon irradiation with UV light, the material shows a weak fluorescence band at 15,870 cm(-1) (630 nm) with a quantum efficiency of 0.90(2) % and a lifetime of 131(2) ns. Upon lowering the temperature, the luminescence intensity strongly increases. Simultaneously, the band around 450 nm in the excitation spectrum decreases. PMID:24644064

  17. 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.

  18. 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.

  19. 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.

  20. New silver(I) coordination polymers constructed from pyrazine derivatives and aromatic carboxylic acids: Syntheses, structures and photoluminescence

    NASA Astrophysics Data System (ADS)

    Zhang, Ting; Huang, Hua-Qi; Mei, Hong-Xin; Wang, Dan-Feng; Wang, Xiao-Xiang; Huang, Rong-Bin; Zheng, Lan-Sun

    2015-11-01

    Five one-dimensional to three-dimensional coordination polymers have been synthesized by 2-chlorobenzoic acid (HL1), 2-nitrobenzoic acid (HL2), o-toluic acid (HL3), 2,3,5-trimethylpyrazine (tpyz) and 2,3,5,6-tetramethylpyrazine (mpyz) in the presence of NH3·H2O in mixed solvents systems, namely, {Ag4(tpyz)2(L1)4}n (1), {Ag2(tpyz) (L2)2}n (2), {Ag2(tpyz) (L3)2}n (3), {Ag2(mpyz) (L1)2}n (4), {Ag(mpyz) (L2) (H2O)}n (5). All the complexes have been characterized by elemental analyses, IR spectra and X-ray diffraction. Compound 1 shows a 3D framework. The tpyz ligand links 1D chain which was connected by silver atom and L1 anion into 3D framework. Compounds 2 and 4 possess a similar 2D network with (4, 4) topology. Complex 3 also exhibits a two-dimensional structure. There is a 1D silver chain in 3, which is the main difference from 2 and 4. So, 3 shows three-connected (4 8, 3) topology. For 5, only one oxygen of L2 coordinated to Ag(I) ions. The L2 anions were arranged in both sides of the chain, which was connected by silver atoms and mpyz ligands. Then, the uncoordinated carboxylate oxygen with coordinated water 1molecule oxygen through the hydrogen bond made the resultant structure to a 3D framework. Complexes 1-5 spanning from one-dimensional chains to three-dimensional framework suggest that carboxylates and the kinds of pyrazine derivatives play significant roles in the formation of such coordination architectures. The photoluminescence and thermogravimetric analysis (TGA) of the complexes were also investigated.

  1. 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

  2. Enabling cleaner fuels: desulfurization by adsorption to microporous coordination polymers.

    PubMed

    Cychosz, Katie A; Wong-Foy, Antek G; Matzger, Adam J

    2009-10-14

    Microporous coordination polymers (MCPs) are demonstrated to be efficient adsorbents for the removal of the organosulfur compounds dibenzothiophene (DBT) and 4,6-dimethyldibenzothiophene (DMDBT) from model diesel fuel and diesel fuel. For example, packed bed breakthrough experiments utilizing UMCM-150 find capacities of 25.1 g S/kg MCP for DBT and 24.3 g S/kg MCP for DMDBT from authentic diesel indicating that large amounts of fuel are desulfurized before the breakthrough point. Unlike activated carbons, where selectivity has been a problem, MCPs selectively adsorb the organosulfur compounds over other, similar components of diesel. Complete regeneration using toluene at modest temperatures is achieved. The attainment of high selectivities and capacities, particularly for the adsorption of the refractory compounds that are difficult to remove using current desulfurization techniques, in a reversible sorbent indicates that fuel desulfurization may be an important application for MCPs. PMID:19757809

  3. 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.

  4. Coordination Polymers of Palladium Bridged by Carboxylate and Dimethylaminoalkylselenolate Ligands.

    PubMed

    Paluru, Dilip K; Dey, Sandip; Wadawale, Amey P; Bhuvanesh, Nattamai; Grupp, Anita; Kaim, Wolfgang; Jain, Vimal K

    2016-02-01

    Coordination polymers of palladium stabilized by dimethylaminoalkylselenolate and carboxylate ligands are reported. The reaction of [PdCl(SeCH2 CH2 NMe2 )]3 with AgOTf followed by treatment with sodium acetate afforded [Pd(0) Pd(II) 4 (SeCH2 CH2 NMe2 )3 (OAc)3 ](OTf)2 (1) in which one of the Pd atoms is in the zero oxidation state. In the absence of NaOAc, a tetranuclear complex, [Pd(II) 4 (SeCH2 CH2 NMe2 )4 (OTf)](OTf)3 (2), is isolated from the same reaction. Subsequent treatment with NaO2 CR afforded [Pd4 (SeCH2 CH2 NMe2 )4 (O2 CR)4 ] (R=tBu (3) and Ph (4)). The reaction of [PdCl(SeCH2 CH2 CH2 NMe2 )]2 with AgOTf and NaOAc yielded an ionic binuclear complex, [Pd(II) 2 (SeCH2 CH2 CH2 NMe2 )2 (OAc)](OTf) (5). These complexes have been characterized by NMR spectroscopy, crystal structures, and in some cases by X-ray photoelectron spectroscopy, cyclic voltammetry and mass spectrometry. Complexes 1 and 5 are associated through secondary interactions and coordinate bonds, respectively, to generate polymeric structures in the solid state. PMID:26668012

  5. Mixed ligand coordination polymer based on 5-nitroisophthalic acid and 1-(4-nitrophenyl)-1,2,4-triazole: Synthesis, characterization, magnetic and photocatalytic properties

    NASA Astrophysics Data System (ADS)

    Li, Le; Ju, Wen-Wen; Tao, Jian-Qing; Xin, Rong; Wang, Jun; Xu, Xiao-Juan

    2015-09-01

    A new Cu(II) coordination polymer, namely, [Cu(NPT)2(NO2-BDC)]n (1) (NO2-H2BDC = 5-nitro-1,3-benzenedicarboxylic acid, NPT = 4-(4-nitrophenyl)-1,2,4-triazole) has been synthesized under hydrothermal condition and characterized by elemental analysis, and single-crystal X-ray diffraction. Single-crystal X-ray diffraction study reveals that complex 1 features one-dimensional chain structure. The magnetic studies reveal that the antiferromagnetic interactions exist between the adjacent CuII ions. Moreover, complex 1 displays highly photocatalytic degradation activity for the degradation of rhodamine B, methylene blue and methyl orange.

  6. Four-material one dimensional photonic crystals

    NASA Astrophysics Data System (ADS)

    Scotognella, Francesco

    2012-07-01

    Photonic crystals made with more than two materials have been attracting increasing attention due to their peculiar optical properties. In this work, we present a theoretical analysis, by using the transfer matrix method, of one dimensional photonic crystals made of four different materials. A new photonic band gap is observed with respect to conventional one dimensional photonic crystals. Furthermore, we discuss the strong influence that the material permutations plays on the intensity and the shape of the photonic band gaps of the proposed structure.

  7. Copper(I) coordination polymers of 2,2'-dipyridylamine derivatives: syntheses, structures, and luminescence.

    PubMed

    Ni, Jia; Wei, Kai-Ju; Min, Yuanzeng; Chen, Yaowen; Zhan, Shunze; Li, Dan; Liu, Yangzhong

    2012-05-01

    Reactions of CuX (X = Br(-), I(-) or CN(-)) with various types of 2,2'-dipyridylamine (dpa) derivatives have been performed via a hydrothermal-solvothermal method and the products have been structurally characterized by X-ray crystallography. Four ligands with different coordination motifs were employed in the reactions, including angular N,N,N',N'-tetra(2-pyridyl)-2,6-pyridinediamine (tppda); linear N,N,N',N'-tetra(2-pyridyl)-1,4-phenylenediamine (tppa) and N,N,N',N'-tetra(2-pyridyl)biphenyl-4,4'-diamine (tpbpa); and star-shaped tris-[4-(2,2'-dipyridylamino)-phenyl]amine (tdpa), which yielded eight copper(I) complexes exhibiting different stoichiometries of Cu-dpa and variable coordination modes of dpa. The compound [Cu(2)(tppda)(μ-I)(2)](n) (1) forms a one dimensional (1D) coordination polymer exclusively through double μ(2)-I bridges, which arranges to two dimensional (2D) metal-organic frameworks (MOFs) via the face-to-face π···π stacking interactions from pyridyl rings. The compound [Cu(6)(tppa)(μ(3)-Br)(6)](n) (2) forms a 2D network linked through multiple μ(3)-Br bridges. The compound [Cu(2)(tppa)(μ-CN)(2)](n) (3) is also a 2D MOF containing 1D (CuCN)(n) chains. The compounds [Cu(tpbpa)Br](n) (4) and [Cu(4)(tpbpa)(2)(μ-I)(4)](n) (5) display two different 1D assemblies: a zig-zag chain for 4 and a linear structure for 5. The compound [Cu(4)(tpbpa)(μ-CN)(4)](n) (6) shows a pseudo-4,8(2) topological net, while the compound [Cu(8)(tpbpa)(μ-CN)(8)](n)·2nH(2)O (7) exhibits a three-dimensional (3D) framework containing a ···PM··· double helical structure, although both of them contain (CuCN)(n) chains. The compound [Cu(2)(tdpa)(μ-I)(2)](n) (8) is a zig-zag chain based on the star-shaped molecule tpda, in which one of three dpa-arms is free of coordination to metal ions. All complexes exhibit luminescence in the solid state. PMID:22415529

  8. Ligand-Induced Formation of Copper(I) Iodide Clusters: Exocyclic Coordination Polymers with Bis-dithiamacrocycle Isomers.

    PubMed

    Kim, Seulgi; Siewe, Arlette Deukam; Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Ki-Min; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung

    2016-03-01

    A comparative study on the formation of guest clusters induced by different shapes (or sizes) of exocyclic binding sites embedded in the bis-macrocyclic host isomers is reported. CuI reacts with two regioisomers of a bis-dithiamacrocycle, o-bis-L (W-shaped binding site) and m-bis-L (U-shaped binding site), to yield one-dimensional coordination polymers {[(μ4-Cu4I4)(o-bis-L)]·2CH3CN}n (1a) and [(μ4-Cu2I2)(m-bis-L)]n (2). In 1a, the o-bis-L ligand isomer is linked by a spacious cubane [Cu4I4] cluster, while the m-bis-L ligand in 2 is linked by a smaller rhomboid [Cu2I2] cluster because of the different exocyclic binding sites. The results observed illustrate the possibility for the metal clusters including [CunIn] (n = 2 or 4) to adopt a controlled formation through the binding site alternation or design. Because of the adaptive cluster formations, the products show different photophysical properties. Additionally, sliding of the one-dimensional chains in 1a was observed upon loss of the lattice solvent molecules in ambient condition. PMID:26885700

  9. One-Dimensional Harmonic Model for Biomolecules

    PubMed Central

    Krizan, John E.

    1973-01-01

    Following in spirit a paper by Rosen, we propose a one-dimensional harmonic model for biomolecules. Energy bands with gaps of the order of semi-conductor gaps are found. The method is discussed for general symmetric and periodic potential functions. PMID:4709518

  10. One-Dimensional Wavefront Sensor Analysis

    Energy Science and Technology Software Center (ESTSC)

    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.

  11. 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…

  12. 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

  13. Nanoscale coordination polymers exhibiting luminescence properties and NMR relaxivity

    NASA Astrophysics Data System (ADS)

    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 Ln0.333+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 Ln0.333+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.This article presents the first example of ultra-small (3-4 nm) magneto-luminescent cyano-bridged coordination polymer nanoparticles Ln0.333+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 Ln0.333+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. Electronic supplementary information (ESI) available: TEM images and size distribution histograms, IR and emission spectra, diffraction pattern and HRTEM coupled EDX analysis. See DOI: 10.1039/c0nr00709a

  14. Reversible transformation between ionic liquids and coordination polymers by application of light and heat.

    PubMed

    Funasako, Yusuke; Mori, Shotaro; Mochida, Tomoyuki

    2016-05-01

    Reversible transformation between an ionic liquid and a coordination polymer by application of light and heat has been achieved. Ultraviolet light irradiation transforms the transparent liquid to a yellow solid; a reverse reaction occurs due to the application of heat. The transformation accompanies drastic switching of intra- and intermolecular coordination bonds of a ruthenium complex. This is a novel material conversion methodology that connects the fields of ionic liquids and coordination polymers. PMID:27080208

  15. 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; State Key Laboratory of Precision Spectroscopy and Department of Physics, Institute of Theoretical and Computational Science, East China Normal University, Shanghai 200062 ; Ryu, Shinsei; Hirata, So; CREST, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012

    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.

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

    NASA Astrophysics Data System (ADS)

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

    2014-05-01

    Four ternary coordination polymers (CPs) namely, {[Ni(SDB)(BITMB)(H2O)]·H2O}n (CP1), {[Cd(SDB)(BITMB) (H2O)]·(THF)(H2O)}n (CP2), {[Zn2(SDB)2(BITMB)]·(THF)2}n (CP3) and {[Co2(SDB)2(BITMB)]·(Dioxane)3}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.

  17. Mesoscopic architectures of porous coordination polymers fabricated by pseudomorphic replication

    NASA Astrophysics Data System (ADS)

    Reboul, Julien; Furukawa, Shuhei; Horike, Nao; Tsotsalas, Manuel; Hirai, Kenji; Uehara, Hiromitsu; Kondo, Mio; Louvain, Nicolas; Sakata, Osami; Kitagawa, Susumu

    2012-08-01

    The spatial organization of porous coordination polymer (PCP) crystals into higher-order structures is critical for their integration into separation systems, heterogeneous catalysts, ion/electron transport and photonic devices. Here, we demonstrate a rapid method to spatially control the nucleation site, leading to the formation of mesoscopic architecture made of PCPs, in both two and three dimensions. Inspired by geological processes, this method relies on the morphological replacement of a shaped sacrificial metal oxide used both as a metal source and as an ‘architecture-directing agent’ by an analogous PCP architecture. Spatiotemporal harmonization of the metal oxide dissolution and the PCP crystallization allowed the preservation of very fine mineral morphological details of periodic alumina inverse opal structures. The replication of randomly structured alumina aerogels resulted in a PCP architecture with hierarchical porosity in which the hydrophobic micropores of the PCP and the mesopores/macropores inherited from the parent aerogels synergistically enhanced the material’s selectivity and mass transfer for water/ethanol separation.

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

    PubMed

    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. PMID:25589393

  19. 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.

  20. One-dimensional bimetallic cyano complexes with nicotinamide and isonicotinamide ligands

    NASA Astrophysics Data System (ADS)

    Gör, Kansu; Kürkçüoğlu, Güneş Süheyla; Yeşilel, Okan Zafer; Büyükgüngör, Orhan

    2014-02-01

    Two new 1D bimetallic Cu(II)/Ni(II) coordination polymers, {[Cu(NH3)4(μ-na)][Ni(CN)4]}n (1) and {[Cu(NH3)2(ina)2Ni(μ-CN)2(CN)2]}n (2) (na: nicotinamide, ina: isonicotinamide) have been synthesized and characterized by vibrational (FT-IR and Raman) spectroscopy, elemental, thermal analyses, and single crystal X-ray diffraction techniques. In both of the complexes, Ni(II) ion is four coordinate with four cyanide-carbon atoms in a square-planar geometry. In 1, the [Ni(CN)4]2- ion acts as a counter-ion, whereas it coordinated to the Cu(II) ions as a bridging ligand in 2. In 1 and 2, each Cu(II) ion is coordinated in a distorted octahedral geometry. Single crystal X-ray analysis showed that 1 and 2 exhibit one-dimensional linear chain running along the crystallographic a-axis and b-axis direction, respectively. Adjacent chains are further stacked through intermolecular hydrogen bonding, NH⋯π, CH⋯Ni and Ni⋯π interactions to form 3D supramolecular network.

  1. 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.

  2. Transient One-dimensional Pipe Flow Analyzer

    Energy Science and Technology Software Center (ESTSC)

    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

  3. 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.

  4. Coordination Polymer: Synthesis, Spectral Characterization and Thermal Behaviour of Starch-Urea Based Biodegradable Polymer and Its Polymer Metal Complexes

    PubMed Central

    Malik, Ashraf; Parveen, Shadma; Ahamad, Tansir; Alshehri, Saad M.; Singh, Prabal Kumar; Nishat, Nahid

    2010-01-01

    A starch-urea-based biodegradable coordination polymer modified by transition metal Mn(II), Co(II), Ni(II), Cu(II), and Zn(II) was prepared by polycondensation of starch and urea. All the synthesized polymeric compounds were characterized by Fourier transform-infrared spectroscopy (FT-IR), 1H-NMR spectroscopy, 13C-NMR spectroscopy, UV-visible spectra, magnetic moment measurements, differential scanning calorimeter (DSC), and thermogravimetric analysis (TGA). The results of electronic spectra and magnetic moment measurements indicate that Mn(II), Co(II), and Ni(II) complexes show octahedral geometry, while Cu(II) and Zn(II) complexes show square planar and tetrahedral geometry, respectively. The thermogravimetric analysis revealed that all the polymeric metal complexes are more thermally stable than the parental ligand. In addition, biodegradable studies of all the polymeric compounds were also carried out through ASTM standards of biodegradable polymers by CO2 evolution method. PMID:20414461

  5. 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.

  6. Designing a New Class of Electrocatalysts for Polymer Electrolyte Membrane Fuel Cells: Probing Size, Composition, and Structure Dependent Electrocatalytic Performance in High-Quality, One-Dimensional Noble Metal Nanostructures

    NASA Astrophysics Data System (ADS)

    Koenigsmann, Christopher

    A key challenge in the practical commercialization of PEMFCs is the extremely high cost and relatively poor durability of carbon supported Pt nanoparticle (Pt NP/C) electrocatalysts utilized in both the anode and cathode half-cells. Herein, we synthesize and characterize a new class of high-quality one-dimensional noble metal nanostructures as a potentially new and promising structural paradigm for the next generation of electrocatalyst materials. Specifically, we investigate the nature of the complex interplay amongst size, chemical composition, and electrocatalytic performance in high-quality elemental and bimetallic 1D noble metal nanowire systems with an emphasis on achieving efficient and sustainable methods for catalyst preparation. In terms of nanowire dimensions and composition, an interesting and measureable size-dependent enhancement in performance emerges in the case of elemental Pt, Pd, and Pd1-xAux nanowires possessing diameters ranging from the submicron (d = ˜200 nm) to the ultrathin regime (d = ˜1 nm). In a similar context, we have considered the role of chemical composition in 1D electrocatalysts and noted significant composition-dependent enhancements in activity and durability in high-quality, bimetallic Pd1-xAux and Pd1-xPtx NWs. A key finding that is apparent from these experimental results is that widely seen behavioral trends in the composition- and size-dependent performance for 0D nanoparticle-based catalysts do not hold in the case of 1D architectures, because of the patently unique structural and electronic effects, associated with their anisotropic structures. As a culmination of our efforts to take advantage of these intrinsic structure-activity correlations, our group has developed a morphology-, size-, and composition-optimized Pd9Au NW possessing a Pt monolayer shell (PtML˜Pd9Au NWs) electrocatalyst with an ultrathin 2 nm diameter, which yielded outstanding Pt mass and platinum group metal activities of 2.56 A/mgPt and 0.64 A/mgPGM, respectively, thereby surpassing the activity of conventional state-of-the-art Pt NP/C by more than ten-fold.

  7. A novel 1D silver(I) coordination polymer constructed from indol-3-butyric acid: Synthesis, crystal structure and natural bond orbital analysis by DFT

    NASA Astrophysics Data System (ADS)

    Zorlu, Yunus; Can, Hatice

    2013-04-01

    A novel one-dimensional Ag(I) coordination polymer with formula [Ag(IBA)]n(1) (IBA = indol-3-butyric acid) has been synthesized and structurally characterized by infrared spectroscopy (IR), elemental analysis and single crystal X-ray diffraction techniques. X-ray crystallographic study revealed that 1 crystallizes in monoclinic space group C2/c with unit cell parameters of a = 25.6863(7) Å, b = 7.5837(2) Å, c = 10.9065(3) Å, β = 103.296(2)°, V = 2067.61(10) Å3 and shows 1D wave-like one-dimensional coordination polymer. In the crystal structure, 1D chains are formed by Ag2:L2 dimers connected by argentophilic Ag⋯Ag interactions. The adjacent 1D polymeric chains are further assembled by hydrogen bond (Nsbnd H⋯O), Ag⋯C, Ag⋯π, Csbnd H⋯π and weak π⋯π interactions into a three-dimensional framework. The complex also exhibits the intermolecular pseudo-agostic (IPA) interaction (C-H⋯Ag). The spontaneous formation of the 1D assembly of complex 1 was investigated with density functional theory (DFT) method.

  8. One-dimensional image transformation in white light

    NASA Astrophysics Data System (ADS)

    Bartelt, H.

    1981-08-01

    A method for linear, one-dimensional transformations in white light is described. In the case of discrete object and transformation functions, this operation may also be called a matrix multiplication. The method uses the multiplexing facility of the wavelength coordinate. This fact allows an image quality corresponding to the full spatial resolution of the optical system to be achieved. Any type of positive basis functions can be introduced into the optical system. The only restriction is caused by the use of temporally incoherent light. Therefore, bipolar basis functions of a transformation must be split into positive parts. As an application, a Walsh-Hadamard transformation has been performed.

  9. A statistical formulation of one-dimensional electron fluid turbulence

    NASA Technical Reports Server (NTRS)

    Fyfe, D.; Montgomery, D.

    1977-01-01

    A one-dimensional electron fluid model is investigated using the mathematical methods of modern fluid turbulence theory. Non-dissipative equilibrium canonical distributions are determined in a phase space whose co-ordinates are the real and imaginary parts of the Fourier coefficients for the field variables. Spectral densities are calculated, yielding a wavenumber electric field energy spectrum proportional to k to the negative second power for large wavenumbers. The equations of motion are numerically integrated and the resulting spectra are found to compare well with the theoretical predictions.

  10. 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. PMID:27045181

  11. Wave turbulence in one-dimensional models

    NASA Astrophysics Data System (ADS)

    Zakharov, V. E.; Guyenne, P.; Pushkarev, A. N.; Dias, F.

    2001-05-01

    A two-parameter nonlinear dispersive wave equation proposed by Majda, McLaughlin and Tabak is studied analytically and numerically as a model for the study of wave turbulence in one-dimensional systems. Our ultimate goal is to test the validity of weak turbulence theory. Although weak turbulence theory is independent on the sign of the nonlinearity of the model, the numerical results show a strong dependence on the sign of the nonlinearity. A possible explanation for this discrepancy is the strong influence of coherent structures - wave collapses and quasisolitons - in wave turbulence.

  12. 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. PMID:20141118

  13. Nonlinear one-dimensional guided wedge waves

    NASA Astrophysics Data System (ADS)

    Lomonosov, Alexey M.; Pupyrev, Pavel D.; Hess, Peter; Mayer, Andreas P.

    2015-07-01

    The experimental observation of an efficient second-order nonlinearity with dominating frequency upconversion is reported for one-dimensional (1D) guided elastic waves localized at solid edges. These 1D acoustic wedge waves are a fundamental type of elastic wave with a phase velocity below that of surface and bulk waves and no coupling to them. Acoustic pulses, showing steepening, narrowing, and spiking to shocklike profiles, were generated and detected by a laser-based pump-probe setup. Shock formation is described by a nonlinear evolution equation, which allows the characteristic features of 1D guided shock waves to be predicted that differ from their bulk and surface analogs.

  14. Observation of a large magnetocaloric effect in a 2D Gd(III)-based coordination polymer.

    PubMed

    Biswas, Soumava; Adhikary, Amit; Goswami, Soumyabrata; Konar, Sanjit

    2013-10-01

    A new 2D Gd(III)-based coordination polymer has close to the highest cryogenic magnetocaloric effect of any MOF reported so far. The experimental results reveal its structural features and magnetic properties. PMID:23942852

  15. 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.

  16. 1D Cu(II) coordination polymer derived from 2-(2-(2,4-dioxopentan-3-ylidene)hydrazinyl)benzenesulfonate chelator and pyrazine spacer

    NASA Astrophysics Data System (ADS)

    Mahmudov, Kamran T.; Haukka, Matti; Sutradhar, Manas; Mizar, Archana; Kopylovich, Maximilian N.; Pombeiro, Armando J. L.

    2013-02-01

    Reaction of 2-(2-(2,4-dioxopentan-3-ylidene)hydrazinyl)benzenesulfonic acid (H2L) with copper(II) nitrate hydrate in the presence of pyrazine (pz) in methanol affords the coordination polymer [Cu2(μ-L)2(H2O)2(μ-pz)]n (1), where the bidentate pz molecule links two Cu(II) centres of two different dimeric units, giving rise to a one-dimensional chain. The dimeric unit [Cu2(μ-L)2(H2O)2] consists of two distorted octahedral Cu(II) centres connected via oxygen atoms of the sulfo group of the bridging L2- ligand. The extensive hydrogen bonding between the coordinated water and pz molecules leads to the formation of a supramolecular 3D associate. Compound 1 has been characterized by elemental analysis, ESI-MS, IR spectroscopy and single-crystal X-ray diffraction analysis.

  17. 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. PMID:25940657

  18. One-Dimensional Photonic Crystal Superprisms

    NASA Technical Reports Server (NTRS)

    Ting, David

    2005-01-01

    Theoretical calculations indicate that it should be possible for one-dimensional (1D) photonic crystals (see figure) to exhibit giant dispersions known as the superprism effect. Previously, three-dimensional (3D) photonic crystal superprisms have demonstrated strong wavelength dispersion - about 500 times that of conventional prisms and diffraction gratings. Unlike diffraction gratings, superprisms do not exhibit zero-order transmission or higher-order diffraction, thereby eliminating cross-talk problems. However, the fabrication of these 3D photonic crystals requires complex electron-beam substrate patterning and multilayer thin-film sputtering processes. The proposed 1D superprism is much simpler in structural complexity and, therefore, easier to design and fabricate. Like their 3D counterparts, the 1D superprisms can exhibit giant dispersions over small spectral bands that can be tailored by judicious structure design and tuned by varying incident beam direction. Potential applications include miniature gas-sensing devices.

  19. 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.

  20. One-dimensional Vlasov--Maxwell equilibria

    SciTech Connect

    Greene, J.M. )

    1993-06-01

    The purpose of this paper is to show that the Vlasov equilibrium of a plasma of charged particles in an electromagnetic field is closely related to a fluid equilibrium, where only a few moments of the velocity distribution of the plasma are considered. In this fluid equilibrium the electric field should be calculated from Ohm's law, rather than the Poisson equation. In practice, only one-dimensional equilibria are treated, because the symmetry makes this case tractable. The emphasis here is on gaining a better understanding of the subject, but an alternate way of doing the calculations is suggested. It is shown that particle distributions can be found that are consistent with any reasonable electromagnetic field profile.

  1. Quasi-one-dimensional parahydrogen in nanopores

    NASA Astrophysics Data System (ADS)

    Omiyinka, Tokunbo; Boninsegni, Massimo

    2016-03-01

    The low temperature physics of parahydrogen (p -H2) confined in cylindrical channels of diameter of the order of 1 nm is studied theoretically by quantum Monte Carlo simulations. On varying the attractive strength of the wall of the cylindrical pore, as well as its diameter, the equilibrium phase evolves from a single quasi-one-dimensional (1D) channel along the axis, to a concentric cylindrical shell. It is found that the quasi-1D system retains a strong propensity to crystallization, even though on weakly attractive substrates quantum fluctuations reduce somewhat such a tendency compared to the purely 1D system. No evidence of a topologically protected superfluid phase (in the Luttinger sense) is observed. Implications on the possible existence of a bulk superfluid phase of parahydrogen are discussed.

  2. Vanadium polyoxoanion-bridged macrocyclic metal complexes: from one-dimensional to three-dimensional structures.

    PubMed

    Ou, Guang-Chuan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu

    2009-01-01

    The reactions of four-coordinated transition metal macrocyclic complexes [ML](ClO(4))(2) (L = 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane, M = Ni, Cu) with NH4VO3 under different conditions gave four coordination polymers of {[(CuL)(0.5)(H2L)(1.5)][H2V10O2)] x 6H(2)O}(n) (1x6H(2)O), {[NiL](3)[V16O38(H2O)] x 6H(2)O}(n) (2 x 6H(2)O), {[NiL][VO(3)](2) x 0.33H2O}(n) (3.0.33H(2)O), and {[CuL][VO(3)](2) x 0.33H(2)O}(n) (4 x 0.33H2O). Single crystal X-ray diffraction analyses reveal that four diverse vanadium polyoxoanions, [H2V1oO28)(4-) cluster, [V16O38(H2O)](6-) cage, [V6O18](6-) ring, and [VO(3)](n)(n-) chain, were obtained from the same reactant NH(4)VO(3) under different conditions. In 1, the cluster anion [H2V10O28](4-) alternately bridges [CuL]2+/[H2L]2+ to form a one-dimensional chain, and the [V16O38(H2O)](6-) cage in 2 links three [NiL]2+ into a two-dimensional sheet. Compounds 3 and 4 show three-dimensional structures, which are constructed by the connections of hexanuclear [V6O18](6-) rings with [NiL]2+ in 3 and [VO3](n)(n-) chains with [CuL]2+ in 4, respectively, generating one-dimensional channels occupied by guest water molecules. PMID:19081973

  3. Polytypism, homochirality, interpenetration, and hydrogen-bonding in transition metal (Mn(II), Ni(II), Cu(II), Zn(II)) 5-hydroxyisophthalate coordination polymers containing 4,4'-bipyridyl.

    PubMed

    Feller, Russell K; Cheetham, Anthony K

    2008-04-21

    We report the synthesis of five coordination polymers of divalent transition metals combined with 5-hydroxyisophthalic acid (HIP) and 4,4'-bipyridyl (bipy). Mn forms two polytypic two-dimensional coordination polymers, Mn(HIP)(bipy).3H(2)O and Mn(HIP)(bipy).(1/4)bipy.2H(2)O (I and II, with ABAB and ABC stacking sequences, respectively); Ni forms a chiral hexagonal three-dimensional coordination polymer with two interpenetrating trigonal sublattices exhibiting the "dual quartz" topology, Ni(HIP)(bipy)(H(2)O) (III); Cu forms a one-dimensional coordination polymer containing arrays of infinite hydrogen-bonded molecular ribbons, Cu(HIP)(2)(bipy) (IV); and Zn forms a two-dimensional coordination polymer with a stair-stepped layered structure, Zn(2)(HIP)(2)(bipy)(H(2)O)(2).H(2)O (V). The M-HIP-M connections are perpendicular to the M-bipy-M connections in all structures where they are present. PMID:18382781

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

    NASA Astrophysics Data System (ADS)

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

    2014-04-01

    Five new metal-organic coordination polymers {[Cu3(μ2-OH)2(atrz)2(nph)2(H2O)2]·2H2O}n (1), {[Cu2(μ3-OH)(atrz)(1,2,4-btc)]·2H2O}n (2), {[Cu2(μ3-OH)(atrz)(1,2,4-btc)(H2O)]·H2O}n (3), [Cu(dth)0.5(nph)(H2O)]n (4) and [Cu(dth)(Hnip)2]n (5) [atrz=4-amino-1,2,4-triazole, dth=N,N'-di(4H-1,2,4-triazole)hexanamide, H2nph=3-nitrophthalic acid, 1,2,4-H3btc=1,2,4-benzenetricarboxylic acid and H2nip=5-nitroisophthalic acid] were hydrothermally synthesized and structurally characterized. Polymer 1 shows a one-dimensional (1D) chain. Polymers 2 and 3 exhibit similar tetranuclear CuII4 cluster-based three-dimensional (3D) frameworks with the same components. Polymer 4 possesses a 3D framework with a 412·63-pcu topology. Polymer 5 displays a 3D framework with a 44·610·8-mab topology. The magnetic properties of 1-4 were investigated.

  5. Bosons in one-dimensional incommensurate superlattices

    NASA Astrophysics Data System (ADS)

    Roscilde, Tommaso

    2008-06-01

    We investigate numerically the zero-temperature physics of the one-dimensional Bose-Hubbard model in an incommensurate cosine potential, recently realized in experiments with cold bosons in optical superlattices [L. Fallani , Phys. Rev. Lett. 98, 130404 (2007)]. An incommensurate cosine potential has intermediate properties between a truly periodic and a fully random potential, displaying a characteristic length scale (the quasiperiod) which is shown to set a finite lower bound to the excitation energy of the system at special incommensurate fillings. This leads to the emergence of gapped incommensurate band-insulator (IBI) phases along with gapless Bose-glass (BG) phases for strong quasiperiodic potential for both hard-core and soft-core bosons. Enriching the spatial features of the potential by the addition of a second incommensurate component appears to remove the IBI regions, stabilizing a continuous BG phase over an extended parameter range. Moreover, we discuss the validity of the local-density approximation in the presence of a parabolic trap, clarifying the notion of a local BG phase in a trapped system; we investigate the behavior of first- and second-order coherence upon increasing the strength of the quasiperiodic potential; and we discuss the ab initio derivation of the Bose-Hubbard Hamiltonian with quasiperiodic potential starting from the microscopic Hamiltonian of bosons in an incommensurate superlattice.

  6. 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

  7. 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).

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. Synthesis and structural characterization of new bismuth (III) nano coordination polymer: A precursor to produce pure phase nano-sized bismuth (III) oxide

    NASA Astrophysics Data System (ADS)

    Hanifehpour, Younes; Mirtamizdoust, Babak; Hatami, Masoud; Khomami, Bamin; Joo, Sang Woo

    2015-07-01

    A novel bismuth (III) nano coordination polymer, {[Bi (pcih)(NO3)2]ṡMeOH}n (1), ("pcih" is the abbreviations of 2-pyridinecarbaldehyde isonicotinoylhydrazoneate) were synthesized by a sonochemical method. The new nano-structure was characterized by transmission electron microscopy (TEM), scanning electron microscopy (SEM), X-ray powder diffraction, elemental analyses and IR spectroscopy. Single crystalline material was obtained using a heat gradient applied to a solution of the reagents. Compound 1 was structurally characterized by single crystal X-ray diffraction. The determination of the structure by single crystal X-ray crystallography shows that the complex forms a zig-zag one dimensional polymer in the solid state and the coordination number of BiIII ions is seven, (BiN3O4), with three N-donor and one O-donor atoms from two "pcih" and three O-donors from nitrate anions. It has a hemidirected coordination sphere. The supramolecular features in these complexes are guided and controlled by weak directional intermolecular interactions. The chains interact with each other through π-π stacking interactions creating a 3D framework. After thermolysis of 1 at 230 °C with oleic acid, pure phase nano-sized bismuth (III) oxide was produced. The morphology and size of the prepared Bi2O3 samples were further observed using SEM.

  14. Synthesis and Photophysical Measurements of a Series of Lanthanide-benzenedicarboxylate Coordination Polymers

    NASA Astrophysics Data System (ADS)

    Clark, Jessica Montressa

    Within solid-state chemistry, coordination polymers have gained interest for use in various applications such as sensing, catalysis, display technology, hydrogen storage, etc. The use of lanthanide ions in these materials provides a mean of exploring how structure may affect luminescence efficiency. In this study, the photophysics of several lanthanide benzenecarboxylates was studied. This data combined with data from other coordination polymers created in our lab indicate that the established guidelines for producing highly efficient materials may not correlate directly from solution to the solid state and that structure may also play a role.

  15. 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 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. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr07776a

  16. 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 ?-cyclodextrin (?-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 ?-CD as chain transfer agent. The end group of ?-CD is allowed to include 4,4'-bipyridine through host-guest inclusion to yield PDMAEMA-b-PS terminated with an inclusion complex of ?-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

  17. 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 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. Highlights: • Three homochiral 3D coordination polymers were synthesized. • 1 and 2 are 3D structure with metal-D-cam helical chains pillared by pyrazine. • 3 shows a 3D homochiral framework involving 1D manganese-carboxylate chains. • Magnetic data analysis indicates that 1–3 exhibit weak antiferromagnetic coupling.

  18. 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.

  19. 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).

  20. 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.

  1. 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

  2. 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.

  3. Reversible stimulus-responsive Cu(I) iodide pyridine coordination polymer.

    PubMed

    Amo-Ochoa, P; Hassanein, K; Gómez-García, C J; Benmansour, S; Perles, J; Castillo, O; Martínez, J I; Ocón, P; Zamora, F

    2015-10-01

    We present a structurally flexible copper-iodide-pyridine-based coordination polymer showing drastic variations in its electrical conductivity driven by temperature and sorption of acetic acid molecules. The dramatic effect on the electrical conductivity enables the fabrication of a simple and robust device for gas detection. X-ray diffraction studies and DFT calculations allow the rationalisation of these observations. PMID:26264525

  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. Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.

    PubMed

    Lama, Prem; Alimi, Lukman O; Das, Raj Kumar; Barbour, Leonard J

    2016-02-11

    A coordination polymer is shown to possess anomalous anisotropic thermal expansion. Guest water molecules present in the as-synthesised material can be removed upon activation without loss of crystal singularity. The fully dehydrated form shows considerably different thermal expansion behaviour as compared to the hydrate. PMID:26810007

  6. Bimetallic coordination polymer as a promising anode material for lithium-ion batteries.

    PubMed

    Li, Chao; Hu, Xiaoshi; Lou, Xiaobing; Chen, Qun; Hu, Bingwen

    2016-01-26

    Bimetallic coordination polymers (BiCPs) with Zn and Co were synthesized and applied as anode materials. When the rate was increased to 2 A g(-1), a capacity of 622 mA h g(-1) after 500 cycles could still be maintained. PMID:26688868

  7. Nucleotide/Tb(3+) 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 0.3M, 0.3-470M and 4.44mg per gram of particles, respectively. Metal organic coordination polymers show an attractive potential in constructing smart sensing materials. PMID:26703267

  8. 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

    2016-01-21

    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

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

    PubMed

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

    2013-08-01

    The three-dimensional coordination polymer poly[[bis(??-2-aminoacetato)di-?-aqua-??-(naphthalene-1,5-disulfonato)-hexasilver(I)] dihydrate], {[Ag?(C??H?O?S?)(C?H?NO?)?(H?O)?]2H?O}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. PMID:23907880

  10. A mixed valent heterometallic Cu(II)/Na(I) coordination polymer with sodium-phenyl bonds.

    PubMed

    Datta, Amitabha; Das, Kuheli; Massera, Chiara; Clegg, Jack K; Sinha, Chittaranjan; Huang, Jui-Hsien; Garribba, Eugenio

    2014-04-14

    A mixed valent heterometallic Cu(II)/Na(I) coordination polymer (1) is generated by the reaction of a Schiff base ligand, (6,6'-(1E,1'E)-(2-hydroxypropane-1,3-diyl)bis(azan-1-yl-1-ylidene)bis(methan-1-yl-1-ylidene)bis(2-methoxyphenol)) with copper(II) acetate and sodium perchlorate. In addition to the presence of alcohol oxygen-sodium coordination bonds, the single crystal X-ray structure reveals that the 1D coordination polymer is stabilised by the formation of phenyl-sodium η2-bonds, face-to-face π-π contacts and Cu-π interactions. PMID:24549373

  11. Calorimetric investigation of triazole-bridged Fe(II) spin-crossover one-dimensional materials: measuring the cooperativity.

    PubMed

    Roubeau, Olivier; Castro, Miguel; Burriel, Ramón; Haasnoot, Jaap G; Reedijk, Jan

    2011-03-31

    The relevance of abrupt magnetic and optical transitions exhibiting bistability in spin-crossover solids has been pointed out for their potential applications in optical or memory devices. In this respect, triazole-based one-dimensional coordination polymers are widely recognized as one of the most interesting systems. The measure of the interaction among spin-crossover centers at the origin of such cooperative behavior is of paramount importance and has so far been realized through modeling of spin-crossover curves derived mostly from magnetic measurements. Here, a new series of triazole-based one-dimensional coordination polymers of formula [Fe(Rtrz)(3)](A)(2)·xH(2)O with R = methoxyethyl and A = monovalent anion has been prepared that show complete and abrupt spin-crossover phenomenon as shown by magnetic measurements. The spin-crossover transition in these and related compounds is studied by differential scanning calorimetry, and the thermodynamic excess enthalpies and entropies associated with the phenomenon are derived systematically. Then the cooperative character of the spin-crossover in these materials is quantified by use of two widely used models, so-called Slichter and Drickamer and domain models. The same procedure is applied to spin-crossover curves of similar compounds available in the literature and for which calorimetric studies have been reported. The experimental thermodynamic figures, in particular the excess enthalpies, are shown to be clearly correlated to the output parameters of both models, thus providing a direct, experimental, quantitative measure of the cooperative character of the spin-crossover phenomenon. PMID:21381636

  12. 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.

  13. Syntheses, crystal structures and properties of two unusual pillared-layer 3d-4f Ln-Cu heterometallic coordination polymers

    SciTech Connect

    Fan Leqing; Wu Jihuai; Huang Yunfang

    2011-09-15

    Two unusual pillared-layer 3d-4f Ln-Cu heterometallic coordination polymers, {l_brace}[Ln{sub 2}Cu{sub 5}Br{sub 4}(IN){sub 7}(H{sub 2}O){sub 6}].H{sub 2}O{r_brace}{sub n} (Ln=Eu (1) and Gd (2), HIN=isonicotinic acid), have been synthesized under hydrothermal conditions, and characterized by elemental analysis, IR, thermal analysis and single-crystal X-ray diffraction. The structure determination reveals that 1 and 2 are isostructural and feature a novel three-dimensional pillared-layer hetrometallic structure built upon the linkages of one-dimensional (1D) linear Ln-carboxylate chains, zero-dimensional (0D) Ln-carboxylate Ln{sub 2}(IN){sub 8} dimers, rare 1D zigzag [Cu{sub 5}Br{sub 4}]{sub n} inorganic chains and IN{sup -} pillars. In both 3D structures, there are Ln-carboxylate layers resulted from the connections of 1D Ln-carboxylate chains and 0D Ln{sub 2}(IN){sub 8} dimers through O-H...O hydrogen bondings. The luminescent properties of 1 have been investigated. The magnetic properties of 1 and 2 have also been studied. - Graphical abstract: Two unusual pillared-layer Eu (Gd)-Cu heterometallic coordination polymers have been hydrothermally synthesized. The luminescent properties of Eu-Cu compound and magnetic properties of both compounds are investigated. Highlights: > Two unusual 3D pillared-layer Eu (Gd)-Cu heterometallic coordination polymers have been synthesized. > 1D and 0D Ln-carboxylate motifs construct layers by O-H...O hydrogen bondings. > In both the structures, there are rare 1D zigzag Cu/Br inorganic chains. > Luminescent properties of Eu-Cu compound and magnetic properties of both the compounds are investigated.

  14. 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. PMID:25441415

  15. 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.

  16. 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. Black-Right-Pointing-Pointer By the energy-band theory and the crystal filed theory, the SPS are analyzed and assigned.

  17. 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%. PMID:25367871

  18. 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 stability during cycling. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr08570e

  19. Functionalized lanthanide coordination polymer nanoparticles for selective sensing of hydrogen peroxide in biological fluids.

    PubMed

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

    2014-11-01

    Lanthanide coordination polymers have recently emerged as very fascinating sensing materials due to their tunable structures and unique optical properties. However, a major problem concerning the applications of lanthanide coordination polymers for fluorescent sensing is their unselective recognition to analytes. In this work, a direct post-modification strategy was employed to prepare functionalized lanthanide coordination polymer nanoparticles (Phe/Tb-CPBA CPNPs) with specific response ability to hydrogen peroxide (H2O2) by using phenylalanine (Phe) as bridging ligands, terbium ions (Tb(3+)) as metal nodes and carboxyphenylboronic acids (CPBAs) as guest ligands. Phe/Tb-CPBA CPNPs emit a strong green fluorescence due to the removal of coordinated water molecules and the sensitization effect of CPBA. Upon the addition of H2O2, however, the quenched fluorescence of Phe/Tb-CPBA CPNPs can be observed owing to an intramolecular charge transfer effect. This finding led to a method for the quantitation of H2O2 in the 6 μM to 1 mM concentration range and with a detection limit at 2 μM. Because of the chemoselective H2O2-mediated oxidative deboronation, Phe/Tb-CPBA CPNPs as fluorescent sensors exhibit excellent selectivity to H2O2. Furthermore, Phe/Tb-CPBA CPNPs were successfully used to measure the level of H2O2 in urine samples and showed satisfactory results. We envision that the presented strategy could be extended to design other functionalized coordination polymers with desired functions for various biomedical applications. PMID:25195570

  20. A coordination polymer of manganese (III) porphyrinate with right-handed helicity and opticity

    NASA Astrophysics Data System (ADS)

    Yang, Jun-Wei; Zhang, Jing; Yan, Yan; Huang, Xiao-Chun; Tong, Shan-Ling

    2010-07-01

    A first example of 1D coordination polymer [MnTHPP·H 2O·(DMF) 2 ( 1)] with right-handed helicity and opticity was successfully assembled. Crystal analyses indicate that the right-handed helical assembly is based on coordination bonds from peripheral to center, associating with the saddle distortion of the molecular planes. In its crystal architecture, MnTHPP [manganese (III) ion coordinated by 5,10,15,20-tetra(4-hydroxyphenyl) porphyrin] molecules were ligated each other via the axial coordination between -PhO - → Mn III (peripheral to center model, from the peripherally deprotonated hydroxyphenyl to the central metal of the neighbor molecule) to construct the right-handed helices, and the helices are sustained by plentiful hydrogen bonding. Meanwhile DMF molecules are entrapped within the voids among the helices. This is a rare example of the multiporphyrin arrays with right-handed helices bearing opticity.

  1. 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.

  2. 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.

  3. 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.

  4. The effect of amphiphilic polymers on the association, morphology and photophysical properties of hypocrellin coordination polymer/fullerene assemblies.

    PubMed

    Ou, Zhize; Liu, Guixia; Gao, Yunyan; Li, Shayu; Li, Huizhen; Li, Yi; Wang, Xuesong; Yang, Guoqiang; Wang, Xin

    2014-11-01

    The yttrium coordination polymer of pyrene modified hypocrellin A (Y(3+)-PyrHA) is synthesized and characterized. The methoxydiglycol malonate modified fullerene can be included in the cavity of Y(3+)-PyrHA in organic solution and buffer solution containing amphiphilic polymers, such as polyvinyl pyrrolidone (PVP), pluronic F127 and P123. The interaction between an amphiphilic polymer and Y(3+)-PyrHA plays an important role in controlling the size and morphology of Y(3+)-PyrHA/fullerene. TEM images of Y(3+)-PyrHA/fullerene in 1% F127 and P123 show nanoparticles in the size range 10-60 nm, while TEM images of Y(3+)-PyrHA/fullerene in 1% PVP display large-scale aggregation. Singlet oxygen is generated by irradiation of the polymer solution of Y(3+)-PyrHA/fullerene in the presence of oxygen. The electron paramagnetic resonance (EPR) spin trapping and 9,10-dimethoxyanthracene-2-sulfonic acid sodium salt (MAS) photooxidation results suggest that in 1% P123 solution Y(3+)-PyrHA/fullerene exhibits a higher singlet oxygen quantum yield than Y(3+)-PyrHA and the corresponding fullerene. PMID:25162985

  5. 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.

  6. Water molecule-enhanced CO{sub 2} insertion in lanthanide coordination polymers

    SciTech Connect

    Luo Liushan; Huang Xiaoyuan; Wang Ning; Wu Hongyan; Chen Wenbin; Feng Zihao; Zhu Huiping; Peng Xiaoling; Li Yongxian; Huang Ling; Yue Shantang; Liu Yingliang

    2009-08-15

    Two new lanthanide coordination polymers H{sub 2}N(CH{sub 3}){sub 2}.[Eu{sup III}{sub 2}(L{sub 1}){sub 3}(L{sub 2})] (1, L{sub 1}=isophthalic acid dianion, L{sub 2}=formic acid anion) and [La{sup III}(2,5-PDC)(L{sub 2})](2, 2,5-PDC=2,5-pyridinedicarboxylate dianion) were synthesized under solvothermal conditions. It is of interest that the formic ligand (L{sub 2}) is not contained in the stating materials, but arises from the water molecule-enhanced CO{sub 2} insertion during the solvothermal process. Both of the two compounds exhibit complicated three dimensional sandwich-like frameworks. - Graphical abstract: Two new lanthanide coordination polymers involving water molecule-enhanced CO{sub 2} insertion resulting in the formation of formic anion and dimethylammonium cation were synthesized under solvothermal conditions.

  7. Zinc coordination polymers containing substituted isophthalate ligands and fragments from in situ hydrolysis of 4-pyridylisonicotinamide

    NASA Astrophysics Data System (ADS)

    O'Donovan, Megan E.; LaDuca, Robert L.

    2015-03-01

    Hydrothermal treatment of zinc nitrate, a 5-substituted isophthalic acid, and 4-pyridylisonicotinamide (4-pina) resulted in crystalline coordination polymers that incorporated different fragments formed by in situ hydrolysis of the 4-pina precursor. These materials were characterized by single crystal X-ray diffraction. In the case of {[4-ampyrH]2[Zn(hip)2]·H2O}n (1, 4-ampyrH = 4-aminopyridinium, hip = 5-hydroxyisophthalate), anionic [Zn(hip)2]n2n- (4,4) grid layers co-crystallize with protonated 4-ampyr cations. Using 5-nitroisophthalic acid (H2nip), [Zn7(isonic)4(OH)6(nip)2]n (2, isonic = isonicotinate) was formed. This material manifests [Zn7(OH)6]n cationic inorganic chain motifs linked by isonic and nip ligands into a non-interpenetrated 3-D coordination polymer network with pcu topology. Luminescent behavior is attributed to intra-ligand molecular orbital transitions.

  8. Design of 2D Porous Coordination Polymers Based on Metallacrown Units.

    PubMed

    Atzeri, Corrado; Marchiò, Luciano; Chow, Chun Y; Kampf, Jeff W; Pecoraro, Vincent L; Tegoni, Matteo

    2016-05-01

    A 12-metallacrown-4 (MC) complex was designed and employed as the building block in the synthesis of coordination polymers, one of which is the first permanently porous MC architecture. The connection of the four-fold symmetric MC subunits by Cu(II) nodes led to the formation of 2D layers of metallacrowns. Channels are present in the crystalline architecture, which exhibits permanent porosity manifested in N2 and CO2 uptake capacity. PMID:26951956

  9. Guanine-copper coordination polymers: crystal analysis and application as thin film precursors.

    PubMed

    Nagapradeep, N; Venkatesh, V; Tripathi, S K; Verma, Sandeep

    2014-01-28

    Three copper-N9-modified guanine complexes are reported with structures ranging from a discrete trinuclear motif to a mixed-valence coordination polymer. These complexes were used as precursors for the deposition and growth of copper oxide thin films on Si(100), at two different annealing temperatures, by using a CVD technique. Subsequent resistivity measurements suggest the formation of conductive thin films, raising the possibility of using nucleobase-metal complexes as versatile thin film precursors. PMID:24233581

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

    NASA Astrophysics Data System (ADS)

    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

    2015-05-01

    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 21 helical chains. While the Nd(III) ions are bridged through μ2-HIDC2- 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.

  11. The densely fluorinated nanospace of a porous coordination polymer composed of perfluorobutyl-functionalized ligands.

    PubMed

    Jeon, Hyung Joon; Matsuda, Ryotaro; Kanoo, Prakash; Kajiro, Hiroshi; Li, Liangchun; Sato, Hiroshi; Zheng, Yongtai; Kitagawa, Susumu

    2014-09-25

    A perfluorobutyl-functionalized two-dimensional porous coordination polymer (PCP), {[Cu(bpbtp)(L)(DMF)]·(DMF)}n (H2bpbtp = 2,5-bis(perfluorobutyl)terephthalic acid, L = 2,5-bis(perfluorobutyl)-1,4-bis(4-pyridyl)benzene, DMF = N,N-dimethylformamide) has been synthesized and structurally characterized. The pore surface of the PCP is decorated with pendant perfluorobutyl groups which fabricate a densely fluorinated nanospace resulting in unique gas sorption properties. PMID:25089888

  12. 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. PMID:26868729

  13. Polymer complexes. LIII. Supramolecular coordination modes and structural of novel sulphadrug complexes

    NASA Astrophysics Data System (ADS)

    Diab, M. A.; El-Sonbati, A. Z.; Mohamed, R. H.

    2010-11-01

    Novel polymer complexes of copper(II), palladium(II), platinum(II) and cadmium(II) containing homopolymer [4-acrylamido benzene sulphonyl guanidine; (HL)] and various anions (SO 42-, CH 3COO -, NO 3-, Br - or Cl -) have been designed and carried out. Their structures were investigated by elemental analyses, spectral (IR, UV-vis, 1H NMR and ESR) and magnetic moments. The modes of interactions between the ligand and the metals were discussed, where oxygen (of O dbnd S dbnd O group) and nitrogen atom [of imino nitrogen (NH/N) of the guanidine group] are involved in chelation. The homopolymer shows two types of coordination behaviour. In mononuclear polymer complexes 4 and 6- 10, it acts as a neutral bidentate ligand chelated through the NH and O atoms, whereas in the polymer complexes 1- 3, 5 and 11, monobasic bidentate ligand is coordinated through the -N and -O atoms. The poly-chelates are of 1:1/1:2 (metal-homopolymer) stoichiometry and exhibit four coordination. On the basis of electronic spectral data and magnetic susceptibility measurement square planar geometry has been proposed. The ESR spectral data provided information about their structure on the basis Hamiltonian parameters and degree of covalency. From the electron paramagnetic resonance and spectral data, the orbital reduction factors were calculated.

  14. 4,2':6',4''-Terpyridines: diverging and diverse building blocks in coordination polymers and metallomacrocycles.

    PubMed

    Housecroft, Catherine E

    2014-05-14

    4,2':6',4''-Terpyridine (4,2':6',4''-tpy) is one of the less well documented isomers of the well-established bis-chelating 2,2':6',2''-terpyridine. The N-donors of the outer rings in 4,2':6',4''-tpy subtend an angle of 120°, leading to a description of 4,2':6',4''-tpy as a divergent ligand. Because it typically binds metal ions through the outer N-donors only, 4,2':6',4''-tpy is an ideal linker for combination with metal nodes (often geometrically flexible d(10) ions) in coordination polymers and metallomacrocyclic complexes. The facile functionalization of terpyridines in the 4'-position allows access to a suite of 4'-X-4,2':6',4''-tpy ligands in which the 4'-substituent, X, can be selected to assist in directing the metal-ligand assembly process. This overview of recent advances in the chemistry of 4,2':6',4''-tpy and its 4'-substituted derivatives looks at relationships within a series of chiral polymers, competition between the formation of metallocyclic complexes versus polymers, and the use of extended aryl systems to encourage the formation of coordination polymers in which π-stacking of arene domains dominates in the assembly process. Use of metal(ii) acetates is key to the formation of paddle-wheel and larger cluster nodes that direct the assembly of both predetermined and unexpected architectures. PMID:24522847

  15. Manganese- and Lanthanide-Based 1D Chiral Coordination Polymers as an Enantioselective Catalyst for Sulfoxidation.

    PubMed

    Yadav, Munendra; Bhunia, Asamanjoy; Jana, Salil K; Roesky, Peter W

    2016-03-21

    The chiral 1D-coordination polymers (CP) {[Ln2(MnLCl)2(NO3)2(dmf)6(H2O)2]·xH2O}n [Ln = Pr (1), Nd (2), Sm (3), and Gd (4)] were synthesized by the reaction of N,N'-bis(4-carboxysalicylidene)cyclohexanediamine (H4L) with [MnCl2·4(H2O)] and [Ln(NO3)3·x(H2O)] in the presence of dmf/pyridine at 90 °C. The polymers consist of manganese-salen-based moieties having carboxylate linkers connected to rare earth atoms in a 1D-chain structure. The polymers are very easily accessible. A one-step synthesis for the ligand and a second step for the preparation of the 1D coordination polymers starting from commercially available material are needed. The solid state structures of 1-4 were established by single-crystal X-ray diffraction. Compounds 1-4 were investigated as heterogeneous catalysts for the sulfoxidation reaction of various alkyl and aryl sulfides. The influence of various solvents and oxidizing agents on the catalytic reaction was examined. It was found that the catalysts were active for more than one reaction cycle without significant loss of activity. For phenylsulfide with 1 mol % of the catalyst 4, a maximum conversion 100% and a chemoselectivity 88% were observed. PMID:26923559

  16. 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.

  17. 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.

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

    PubMed

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

    2016-01-28

    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. PMID:26781747

  19. Properties of a One-Dimensional Dirac Liquid

    NASA Astrophysics Data System (ADS)

    Gochan, Matthew; Stokes, James; Bedell, Kevin

    2015-03-01

    Recent experimental results, as well as technological implications, have lead to a resurgence in the analysis of one-dimensional systems. Of particular interest are the technological advances possible in one-dimensional systems; specifically carbon nano-tubes and nano-wires. Here we investigate the properties of a one-dimensional Dirac liquid. We show a distinct change in the behavior of the exponents of quantities such as the correlation functions, density of states, and momentum distribution function. We find that these exponents, as well as relevant thermodynamic and transport properties are independent of density. Additionally, we discuss the consequences the Virial Theorem has on such systems.

  20. 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).

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

    NASA Astrophysics Data System (ADS)

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

    2015-04-01

    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)}2Ru(NO)(CN)5]n and two complexes composed of different cyanorhenates, [Ni(cyclam)]2[ReO(OH)(CN)4](ClO4)2(H2O)1.25 and [Cu(cyclam)]2[Re(CN)7](H2O)12, was confirmed by single crystal XRD study, the rhenium oxidation state having been proved by the magnetic measurements. An amorphism of [M(cyclam)]3[Re(CN)7]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)]3[Re(CN)7]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)n]=3/2. For the first time was prepared and fully characterized a precursor (n-Bu4N)2[Ru(NO)(CN)5], soluble in organic media.

  2. 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

  3. 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.

  4. 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.

  5. High aspect ratio, processable coordination polymer gel nanotubes based on an AIE-active LMWG with tunable emission.

    PubMed

    Suresh, Venkata M; De, Anangsha; Maji, Tapas Kumar

    2015-10-01

    A new TPE based low molecular weight gelator (LMWG) which displays both AIE and MCIE phenomena in gel state has been synthesized. LMWG self-assembles to form 1D nanofibers which undergo morphology transformation to coordination polymer gel (CPG) nanotubes upon metal ion coordination. CPG shows enhanced mechanical stability along with tunable emission properties. PMID:26291066

  6. 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.

  7. 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.

  8. 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.

  9. 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. PMID:24889832

  10. A new pillared-layer 3D coordination polymer involving in situ generated formate

    NASA Astrophysics Data System (ADS)

    Xia, Yu-Pei; Li, Yun-Wu; Li, Da-Cheng; Du, Yu-Chang; Yao, Qing-Xia; Dou, Jian-Min

    2015-02-01

    A new Cd-based coordination polymer, [Cd(cpt)(HCOO)]n (1), has been synthesized from 1-(4-carboxyphenyl)-1,2,4-triazole) ligand (Hcpt). The structure was characterized through X-ray crystallography, elemental analysis, and IR spectrum. Compound 1 presents a three-dimensional (3D) pillared-layer structure constructed by metal-formate layers and cpt- ligands. Moreover, the unusual formate anions are generated in situ from the decomposition of DMF precursors. The fluorescence property of 1 in solid state was also researched.

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

    NASA Astrophysics Data System (ADS)

    Chiruta, Daniel; Jureschi, Catalin-Maricel; Linares, Jorge; Garcia, Yann; Rotaru, Aurelian

    2014-02-01

    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.

  12. Homochiral porous metal-organic coordination polymers: synthesis, structure and functional properties

    NASA Astrophysics Data System (ADS)

    Yutkin, M. P.; Dybtsev, D. N.; Fedin, Vladimir P.

    2011-11-01

    The review concerns the state of the art in and prospects for the development of chemistry of a new class of porous compounds, homochiral metal-organic coordination polymers. Main approaches to the synthesis and structure determination of such systems by X-ray diffraction analysis, as well as stability of metal-organic frameworks and supramolecular chemistry of host-guest inclusion compounds are considered. Prospects for practical application of these compounds first of all for enantioselective resolution and catalysis are discussed. The bibliography includes 175 references. Dedicated to Academician O M Nefedov on the occasion of his 80th birthday.

  13. Crystal-chemical role of malonate ions in the structure of coordination polymers

    NASA Astrophysics Data System (ADS)

    Serezhkin, V. N.; Medvedkov, Ya. A.; Serezhkina, L. B.; Pushkin, D. V.

    2015-06-01

    In the crystal structures of the malonate-containing compounds of d- or f-metals, the C3H2O{4/2-} anions were found to exhibit 17 topologically different types of coordination to the metal atoms A, playing the role of mono-, bi-, tri-, or tetradentate ligands and forming one to seven O-A bonds. The C-C-C bond angle in the malonate ions changed from 103° to 126° and depended linearly on the dihedral angle (φCOO) between the planes of the two carboxyl groups of the anion. At φCOO < 60°, the malonate ions in the crystal structures always form six-membered metallocycles with d- or f-metal atoms, while at φCOO > 67°, they can form only four-membered metallocycles. The factors that influence the conformation of malonate ions in the structures of coordination polymers were discussed.

  14. Hysteretic Spin Crossover in Two-Dimensional (2D) Hofmann-Type Coordination Polymers.

    PubMed

    Liu, Wei; Wang, Lu; Su, Yu-Jun; Chen, Yan-Cong; Tucek, Jiri; Zboril, Radek; Ni, Zhao-Ping; Tong, Ming-Liang

    2015-09-01

    Three new two-dimensional (2D) Hofmann-type coordination polymers with general formula [Fe(3-NH2py)2M(CN)4] (3-NH2py = 3-aminopyridine, M = Ni (1), Pd (2), Pt (3)) have been synthesized. Magnetic susceptibility measurements show that they exhibited cooperative spin crossover (SCO) with remarkable hysteretic behaviors. Their hysteresis widths are 25, 37, and 30 K for 1-3, respectively. The single-crystal structure of 1 suggest that the pseudo-octahedral Fe sites are equatorially bridged by [M(CN)4](2-) to form 2D grids and axially coordinated by 3-NH2py ligands. The intermolecular interactions between layers (the offset face-to-face π···π interactions, hydrogen bonds, and weak N(amino)···Ni(II) contacts) together with the covalent bonds bridged by [M(CN)4](2-) units are responsible to the significant cooperativity. PMID:26258593

  15. 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

  16. 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}]{sub n}. • Raman spectra show the presence of mixed S/Se polyanions.

  17. 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

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

    NASA Astrophysics Data System (ADS)

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

    2015-03-01

    Three new coordination polymers of uranium(VI) with pyromellitic acid (H4btca) have been synthesized and structurally characterized. (ED)[(UO2)(btca)]·(DMSO)·3H2O (1) (ED=ethylenediammonium; DMSO=dimethylsulfoxide) has a lamellar structure with intercalation of ED and DMSO. (NH4)2[(UO2)6O2(OH)6(btca)]·~6H2O (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). [(UO2)2(H2O)(btca)]·4H2O (3) has a 3D network constructed by two types of 7-fold coordinated uranium polyhedron. The unique μ5-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.

  19. One-Dimensional Quasicrystals from Incommensurate Charge Order

    NASA Astrophysics Data System (ADS)

    Flicker, Felix; van Wezel, Jasper

    2015-12-01

    Artificial quasicrystals are nowadays routinely manufactured, yet only two naturally occurring examples are known. We present a class of systems with the potential to be realized both artificially and in nature, in which the lowest energy state is a one-dimensional quasicrystal. These systems are based on incommensurately charge-ordered materials, in which the quasicrystalline phase competes with the formation of a regular array of discommensurations as a way of interpolating between incommensurate charge order at high temperatures and commensurate order at low temperatures. The nonlocal correlations characteristic of the quasicrystalline state emerge from a free-energy contribution localized in reciprocal space. We present a theoretical phase diagram showing that the required material properties for the appearance of such a ground state allow for one-dimensional quasicrystals to form in real materials. The result is a potentially wide class of one-dimensional quasicrystals.

  20. 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.

  1. Quantum solution for the one-dimensional Coulomb problem

    SciTech Connect

    Nunez-Yepez, H. N.; Salas-Brito, A. L.; Solis, Didier A.

    2011-06-15

    The one-dimensional hydrogen atom has been a much studied system with a wide range of applications. Since the pioneering work of Loudon [R. Loudon, Am. J. Phys. 27, 649 (1959).], a number of different features related to the nature of the eigenfunctions have been found. However, many of the claims made throughout the years in this regard are not correct--such as the existence of only odd eigenstates or of an infinite binding-energy ground state. We explicitly show that the one-dimensional hydrogen atom does not admit a ground state of infinite binding energy and that the one-dimensional Coulomb potential is not its own supersymmetric partner. Furthermore, we argue that at the root of many such false claims lies the omission of a superselection rule that effectively separates the right side from the left side of the singularity of the Coulomb potential.

  2. The absorbing properties of one-dimensional plasma photonic crystals

    NASA Astrophysics Data System (ADS)

    Qi, Limei

    2016-01-01

    Using the transfer matrix method, absorbing properties of electromagnetic waves in one-dimensional plasma photonic crystals are proposed. Compared with the absorption of bulk plasma, more absorbing bands have been found in one-dimensional plasma photonic crystals, and the first absorbing band appears below the plasma frequency. These absorbing bands can be controlled by varying structure parameters, plasma parameters and the incident angle. Results show that the periodic number and collision frequency only control the absorbing magnitude. Plasma frequency, plasma thickness and incident angle affect both the absorbing magnitude and locations. Increasing the dielectric constant of the dielectric makes more absorbing bands appear. These features of one-dimensional plasma photonic crystals would have potential applications in tunable millimetre absorbers.

  3. 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. PMID:26940895

  4. 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}.

  5. Four coordination polymers derived from a one-pot reaction and their controlled synthesis.

    PubMed

    Yan, Wei; Hao, Han; Zheng, Hegen

    2016-04-12

    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

  6. Two unusual 12-connected metal–organic coordination polymers with fcu net

    SciTech Connect

    Guo, Sheng-Qi; Tian, Dan; Luo, Yu-Hui; Chen, Xin; Zhang, Hong

    2013-09-15

    Two new three-dimensional 12-connected metal–organic coordination polymers, [Zn{sub 2}(bptc)(H{sub 2}O)]·C{sub 2}H{sub 5}OH·H{sub 2}O (1) and [Cd{sub 4}(bptc){sub 2}(bbi)(H{sub 2}O)]·H{sub 2}O (2) (H4bptc=biphenyl-2,5,2′,5′-tetracarboxylic acid, bbi=1,1′-(1,4-butanediyl)bis(imidazole)), have been solvothermally synthesized and structurally characterized by single crystal X-ray diffraction analyses. All compounds are also characterized by elemental analyses, IR spectra, thermogravimetric (TG) analyses and X-ray powder diffraction (XRD). Topological analysis indicates that both 1 and 2 are 12-connected frameworks with fcu topology, which are based on cuboid cage and rob-like (Cd3) subunit as 12-connected nodes, respectively. Furthermore, the luminescence properties of the two compounds were discussed in detail. - Graphical abstract: Two new compounds with unusual 12-connected fcu topology display intriguing structural feature, as well as luminescence property. Display Omitted - Highlights: • Two new 3D metal–organic coordination polymers based on biphenyl-2,5,2′,5′-tetracarboxylic acid ligand have been synthesized. • Two compounds exhibit rare 12-connected fcu topology. • Photoluminescent property at room temperature has been investigated.

  7. 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.

  8. Gigantic optical nonlinearity in one-dimensional Mott-Hubbard insulators

    PubMed

    Kishida; Matsuzaki; Okamoto; Manabe; Yamashita; Taguchi; Tokura

    2000-06-22

    The realization of all-optical switching, modulating and computing devices is an important goal in modern optical technology. Nonlinear optical materials with large third-order nonlinear susceptibilities (chi(3)) are indispensable for such devices, because the magnitude of this quantity dominates the device performance. A key strategy in the development of new materials with large nonlinear susceptibilities is the exploration of quasi-one-dimensional systems, or 'quantum wires'--the quantum confinement of electron-hole motion in one-dimensional space can enhance chi(3). Two types of chemically synthesized quantum wires have been extensively studied: the band insulators of silicon polymers, and Peierls insulators of pi-conjugated polymers and platinum halides. In these systems, chi(3) values of 10(-12) to 10(-7) e.s.u. (electrostatic system of units) have been reported. Here we demonstrate an anomalous enhancement of the third-order nonlinear susceptibility in a different category of quantum wires: one-dimensional Mott insulators of 3d transition-metal oxides and halides. By analysing the electroreflectance spectra of these compounds, we measure chi(3) values in the range 10(-8) to 10(-5) e.s.u. The anomalous enhancement results from a large dipole moment between the lowest two excited states of these systems. PMID:10879529

  9. 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

  10. 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.

  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. One-dimensional quasistatic model of biodegradable elastic curved rods

    NASA Astrophysics Data System (ADS)

    Tamba?a, Josip; ugec, Bojan

    2015-10-01

    In this paper, we derive and analyze a one-dimensional model of biodegradable elastic curved rods. The model is given for displacement and degradation as unknown functions and is nonlinear. It is obtained from the three-dimensional equations of the biodegradable elastic rod-like bodies using formal asymptotic expansion techniques with respect to the small thickness of the rod. Existence and uniqueness of the solution of the one-dimensional model are proved. Some qualitative properties of the model are also obtained from the numerical approximation of the model.

  13. Ballistic transport in one-dimensional random dimer photonic crystals

    NASA Astrophysics Data System (ADS)

    Cherid, Samira; Bentata, Samir; Zitouni, Ali; Djelti, Radouan; Aziz, Zoubir

    2014-04-01

    Using the transfer-matrix technique and the Kronig Penney model, we numerically and analytically investigate the effect of short-range correlated disorder in Random Dimer Model (RDM) on transmission properties of the light in one dimensional photonic crystals made of three different materials. Such systems consist of two different structures randomly distributed along the growth direction, with the additional constraint that one kind of these layers always appear in pairs. It is shown that the one dimensional random dimer photonic crystals support two types of extended modes. By shifting of the dimer resonance toward the host fundamental stationary resonance state, we demonstrate the existence of the ballistic response in these systems.

  14. Study of one-dimensional Bragg structures with localized defect

    NASA Astrophysics Data System (ADS)

    Konoplev, I. V.; MacInnes, P.; Cross, A. W.; Phelps, A. D. R.; Ronald, K.

    2007-10-01

    The results of studies of one-dimensional Bragg structures (one-dimensional periodic lattice) with localized defects are presented. The defects considered are localized, step changes (shifts) of the lattice phase (corrugation). The influence of the defects on the periodic lattice band-gap parameters has been analyzed. The presence of the defect resulted in the appearance of a pass band, associated with the defect eigenmode, inside the lattice band gap and it was demonstrated that the position of the pass band depended strongly on the parameters of the defect as well as the field structure. The experimental and theoretical results obtained are compared and discussed.

  15. Interference of parametrically driven one-dimensional ultracold gases

    SciTech Connect

    Pielawa, Susanne

    2011-01-15

    We theoretically analyze interference patterns of parametrically driven one-dimensional ultracold atomic gases. By modulating the interaction strength periodically in time, we propose to excite collective modes in a pair of independent one-dimensional gases at energies corresponding to the drive frequency. The excited collective modes lead to spatial oscillations in the correlations of the interference pattern, which can be analyzed to obtain the sound velocity of the collective modes. We discuss both bosonic and fermionic systems and how such experiments could be used to probe spin-charge separation.

  16. 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. PMID:22907902

  17. Localized cell stimulation by nitric oxide using a photoactive porous coordination polymer platform

    PubMed Central

    Diring, Stéphane; Wang, Dan Ohtan; Kim, Chiwon; Kondo, Mio; Chen, Yong; Kitagawa, Susumu; Kamei, Ken-ichiro; Furukawa, Shuhei

    2013-01-01

    Functional cellular substrates for localized cell stimulation by small molecules provide an opportunity to control and monitor cell signalling networks chemically in time and space. However, despite improvements in the controlled delivery of bioactive compounds, the precise localization of gaseous biomolecules at the single-cell level remains challenging. Here we target nitric oxide, a crucial signalling molecule with site-specific and concentration-dependent activities, and we report a synthetic strategy for developing spatiotemporally controllable nitric oxide-releasing platforms based on photoactive porous coordination polymers. By organizing molecules with poor reactivity into polymer structures, we observe increased photoreactivity and adjustable release using light irradiation. We embed photoactive polymer crystals in a biocompatible matrix and achieve precisely controlled nitric oxide delivery at the cellular level via localized two-photon laser activation. The biological relevance of the exogenous nitric oxide produced by this strategy is evidenced by an intracellular change in calcium concentration, mediated by nitric oxide-responsive plasma membrane channel proteins. PMID:24158008

  18. 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.

  19. Silver coordination polymers with tri- and hexacyanoethyl-functionalized macrocyclic ligands.

    PubMed

    Ma, Zhen; Shi, Huaduan; Deng, Xiuqiang; Guedes da Silva, M Ftima C; Martins, Lusa M D R S; Pombeiro, Armando J L

    2015-01-21

    Tri- and hexa-cyanoethyl functionalized 17- () and 42-membered () macrocyclic compounds were obtained by [1 + 1] (for ) or [2 + 2] (for ) cyclocondensation of the corresponding dialdehyde and diethylenetriamine, followed by hydrogenation by KBH4 and subsequent cyano-functionalization with acrylonitrile. They react with silver nitrate, leading to the formation of [AgL(1)](NO3) () and of the metal-organic coordination polymers [Ag2(NO3)2L(1)]n () and {[Ag2](NO3)2}n (). The complexes were characterized by elemental analysis, (1)H NMR, (13)C NMR, IR spectroscopies, and ESI-MS; moreover, , , and were also characterized by single crystal X-ray diffraction. The metal cation in is pentacoordinated with a N3O2 coordination environment; in , the metal cations display N4O2 octahedral and N2O3 square-pyramid coordination and in they are in square-planar N4 sites. In , the ligand acts as a pentadentate chelator, and in the other two cases, the ligands behave as octadentate chelators in a 1?(3)N:?(2)O,2?N,3?N,4?N (in ) or 1?(3)N,2?(3)N,3?N,4?N fashion (in ). The cyanoethyl strands of the ligands are directly involved in the formation of the 2D frameworks of and , which in the former polymer can be viewed as a net composed of hexametallic 36-membered macrocyclic rings and in the latter generates extra hexametallic 58-membered cyclic sets that form zig-zag layers. The thermal analytical and electrochemical properties of these silver complexes were also studied. PMID:25425360

  20. 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 acceptordonoracceptor (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 ?{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 (1.4210{sup 4} and 2.1710{sup 3} times), where 6.96 times' enhancement of solid-state conductivity from 1 to 2 has been observed. The formation of AgN 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 {sub 2}-bridging ligands to prepare a pair of silver(I) polymeric isomers. Significant enhancement of solid-state conductivity is observed for each polymeric isomer.

  1. Toward precise solution of one-dimensional velocity inverse problems

    SciTech Connect

    Gray, S.; Hagin, F.

    1980-01-01

    A family of one-dimensional inverse problems are considered with the goal of reconstructing velocity profiles to reasonably high accuracy. The travel-time variable change is used together with an iteration scheme to produce an effective algorithm for computation. Under modest assumptions the scheme is shown to be convergent.

  2. One-dimensional analysis of choked-flow turbines

    NASA Technical Reports Server (NTRS)

    English, Robert E; Cavicchi, Richard H

    1952-01-01

    Flow conditions internal to choked-flow turbines were subjected to a one-dimensional analysis. Factors affecting the design, operation, and manufacture of such turbines were investigated. Criteria are presented which will aid in analysis of test data from such turbines. The effect of turbine-stator adjustment on internal flow conditions was investigated for one application of turbine stator adjustment.

  3. Sandia One-Dimensional Direct and Inverse Thermal Code

    Energy Science and Technology Software Center (ESTSC)

    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.

  4. 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…

  5. One-Dimensional SO2 Predictions for Duct Injection

    Energy Science and Technology Software Center (ESTSC)

    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.

  6. Reflection properties of one dimensional plasma photonic crystal

    NASA Astrophysics Data System (ADS)

    Kumar, Arun; Khundrakpam, Pinky; Sharma, Priyanka

    2013-06-01

    In this paper band structure and reflection properties of on one-dimensional plasma photonic crystal (PPC) containing alternate layers of dielectric and micro-plasma have been presented. For the purpose of computation, transfer matrix method has been used. It is found that width of the forbidden band gap(s) can be increased by increasing the thickness of plasma layers.

  7. SIMPLE ONE-DIMENSIONAL TRANSPORT CODE FOR MAGNETIZED TARGET FUSION

    SciTech Connect

    STEFANO MIGLUIOLO - MIT

    1999-10-30

    A one-dimensional (in space) time-dependent simulation code is development to study the transport of energy and particles in a field reversed configuration (FRC) plasma that is undergoing radial contraction. This contraction is due to an imploding metallic liner, which is treated through a boundary condition.

  8. 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

  9. Zero-n gap in one dimensional photonic crystal

    NASA Astrophysics Data System (ADS)

    Chobey, Mahesh K.; Suthar, B.

    2016-05-01

    We study a one-dimensional (1-D) photonic crystal composed of Double Positive (DPS) and Double Negative (DNG) material. This structure shows omnidirectional photonic bandgap, which is insensitive with angle of incidence and polarization. To study the effect of structural parameters on the photonic band structure, we have calculated photonic band gap at various thicknesses of DPS and DNG.

  10. PREMIXED ONE-DIMENSIONAL FLAME (PROF) CODE USER'S MANUAL

    EPA Science Inventory

    The report is a user's manual that describes the problems that can be treated by the Premixed One-dimensional Flame (PROF) code. It also describes the mathematical models and solution procedures applied to these problems. Complete input instructions and a description of output ar...

  11. 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.

  12. 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.

  13. 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…

  14. Appropriateness of one-dimensional calculations for repository analysis

    SciTech Connect

    Eaton, R.R.

    1994-01-01

    This paper brings into focus the results of numerous studies that have addressed issues associated with the validity of assumptions which are used to justify reducing the dimensionality of numerical calculations of water flow through Yucca Mountain, NV. It is shown that in many cases, one-dimensional modeling is more rigorous than previously assumed.

  15. 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…

  16. 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

  17. Mathematical modeling of quasi-one-dimensional hemodynamics

    NASA Astrophysics Data System (ADS)

    Bunicheva, A. Ya.; Mukhin, S. I.; Sosnin, N. V.; Khrulenko, A. B.

    2015-08-01

    New unpublished results of research conducted under the guidance of Prof. Favorskii at the Chair of Computational Methods of Moscow State University are presented. Justification and implementation of a quasi-one-dimensional approximation for mathematical modeling of hemodynamics are discussed.

  18. Exact Results for One Dimensional Fluids Through Functional Integration

    NASA Astrophysics Data System (ADS)

    Fantoni, Riccardo

    2016-03-01

    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.

  19. 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)

  20. The One-Dimensional KPZ Equation and Its Universality Class

    NASA Astrophysics Data System (ADS)

    Quastel, Jeremy; Spohn, Herbert

    2015-08-01

    Our understanding of the one-dimensional KPZ equation, alias noisy Burgers equation, has advanced substantially over the past 5 years. We provide a non-technical review, where we limit ourselves to the stochastic PDE and lattice type models approximating it.

  1. Analysis of spectral operators in one-dimensional domains

    NASA Technical Reports Server (NTRS)

    Maday, Y.

    1985-01-01

    Results are proven concerning certain projection operators on the space of all polynomials of degree less than or equal to N with respect to a class of one-dimensional weighted Sobolev spaces. The results are useful in the theory of the approximation of partial differential equations with spectral methods.

  2. 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.

  3. Asymptotic velocity of one dimensional diffusions with periodic drift.

    PubMed

    Collet, P; Martnez, S

    2008-06-01

    We consider the asymptotic behavior of the solution of one dimensional stochastic differential equations and Langevin equations in periodic backgrounds with zero average. We prove that in several such models, there is generically a non-vanishing asymptotic velocity, despite of the fact that the average of the background is zero. PMID:17960387

  4. 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

  5. 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.

  6. 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

  7. Directional Energy Transfer in Mixed-Metallic Copper(I)-Silver(I) Coordination Polymers with Strong Luminescence.

    PubMed

    Shibata, Seiko; Tsuge, Kiyoshi; Sasaki, Yoichi; Ishizaka, Shoji; Kitamura, Noboru

    2015-10-19

    Strongly luminescent mixed-metallic copper(I)-silver(I) coordination polymers with various Cu/Ag ratio were prepared by utilizing the isomorphous relationship of the luminescent parent homometallic coordination polymers (Φ(em) = 0.65 and 0.72 for the solid Cu and Ag polymers, respectively, at room temperature). The mixed-metallic polymer with the mole fraction of copper even as low as 0.005 exhibits a strong emission (Φ(em) = 0.75) from only the copper sites as the result of the efficient energy migration from the silver to the copper sites. The migration rates between the two sites were evaluated from the dependence of emission decays upon the mole fraction of copper. PMID:26414321

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

    NASA Astrophysics Data System (ADS)

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

    2015-07-01

    Two coordination polymers, {[Mn2(L1)2(μ2-H2O)(H2O)4]·5H2O}n 1 and {[Ni(L1)(H2O)2]·2H2O}n 2 (H2L1=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 [Mn2(COO)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)2]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.

  9. 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.

  10. Spinons, Solitons, and Breathers in Quasi-One-Dimensional Magnets

    NASA Astrophysics Data System (ADS)

    Broholm, Collin

    2006-03-01

    By scattering neutrons from coordination polymer magnets, we contrast the effects of a uniform and a staggered magnetic field on the quantum critical state of a spin-1/2 chain. In a partially magnetized state of copper pyrazine dinitrate (CuPzN) we find bounded spectral continua indicating that neutrons scatter from spin-1/2 quasi-particle pairs [1]. The complex boundaries including an incommensurate soft spot result from a field induced shift in the Fermi points for these quasi-particles. The measurements indicate that the magnetized state of CuPzN remains quantum critical. Copper benzoate [2] and CuCl2^.2(dimethylsulfoxide) (CDC) [3] differ from CuPzN in that there are two spins per unit cell along the spin chain. Rather than continuous spectra, we find resolution limited gapped excitations when these materials are subject to high fields. So with two spins per unit cell, an applied field can drive the spin-1/2 chain away from criticality. The explanation for this effect was provided by Affleck and Oshikawa. The alternating coordination environment induces a transverse staggered field and spinon binding. The quantum sine-Gordon model is the relevant low energy field theory and it predicts soliton and breather excitations at specific energies and wave vectors that we compare to the experiments. We shall also compare a complete measurement of the dynamic spin correlation function for CDC in a field to exact diagonalization results for a spin-1/2 chain with a staggered and uniform magnetic field [4]. [1] M. B. Stone, D. H. Reich, C. Broholm, K. Lefmann, C. Rischel, C. P. Landee, and M. M. Turnbull, Phys. Rev. Lett. 91, 037205 (2003). [2] M. Kenzelmann, Y. Chien, C. Broholm, D. H. Reich, and Y. Qiu, Phys. Rev. Lett. 93, 017204 (2004). [3] D. C. Dender, P. R. Hammar, Daniel H. Reich, C. Broholm, and G. Aeppli, Phys. Rev. Lett. 79, 1750 (1997). [4] M. Kenzelmann, C. D. Batista, Y. Chen, C. Broholm, D. H. Reich, S. Park, and Y. Qiu, Phys. Rev. B 71, 094411 (2005).

  11. Glass Formation of a Coordination Polymer Crystal for Enhanced Proton Conductivity and Material Flexibility.

    PubMed

    Chen, Wenqian; Horike, Satoshi; Umeyama, Daiki; Ogiwara, Naoki; Itakura, Tomoya; Tassel, Cédric; Goto, Yoshihiro; Kageyama, Hiroshi; Kitagawa, Susumu

    2016-04-18

    The glassy state of a two-dimensional (2D) Cd(2+) coordination polymer crystal was prepared by a solvent-free mechanical milling process. The glassy state retains the 2D structure of the crystalline material, albeit with significant distortion, as characterized by synchrotron X-ray analyses and solid-state multinuclear NMR spectroscopy. It transforms to its original crystal structure upon heating. Thus, reversible crystal-to-glass transformation is possible using our new processes. The glass state displays superior properties compared to the crystalline state; specifically, it shows anhydrous proton conductivity and a dielectric constant two orders of magnitude greater than the crystalline material. It also shows material flexibility and transparency. PMID:26990042

  12. 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

  13. Two unusual 12-connected metal-organic coordination polymers with fcu net

    NASA Astrophysics Data System (ADS)

    Guo, Sheng-Qi; Tian, Dan; Luo, Yu-Hui; Chen, Xin; Zhang, Hong

    2013-09-01

    Two new three-dimensional 12-connected metal-organic coordination polymers, [Zn2(bptc)(H2O)]·C2H5OH·H2O (1) and [Cd4(bptc)2(bbi)(H2O)]·H2O (2) (H4bptc=biphenyl-2,5,2',5'-tetracarboxylic acid, bbi=1,1'-(1,4-butanediyl)bis(imidazole)), have been solvothermally synthesized and structurally characterized by single crystal X-ray diffraction analyses. All compounds are also characterized by elemental analyses, IR spectra, thermogravimetric (TG) analyses and X-ray powder diffraction (XRD). Topological analysis indicates that both 1 and 2 are 12-connected frameworks with fcu topology, which are based on cuboid cage and rob-like {Cd3} subunit as 12-connected nodes, respectively. Furthermore, the luminescence properties of the two compounds were discussed in detail.

  14. 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.

  15. Substituent-induced effects on dimensionality in cadmium isophthalate coordination polymers containing 3-pyridylisonicotinamide

    NASA Astrophysics Data System (ADS)

    O'Donovan, Megan E.; Wudkewych, Megan J.; LaDuca, Robert L.

    2015-08-01

    Hydrothermal treatment of cadmium nitrate, a 5-substituted isophthalic acid, and 3-pyridylisonicotinamide (3-pina) resulted in three coordination polymers whose dimensionality depended critically on the nature of the aromatic ring substituent. These three new phases were characterized by single crystal X-ray diffraction. {[Cd(hip)(3-pina)(H2O)2]·2H2O}n (1, hip = 5-hydroxyisophthalate) and {[Cd(meoip)(3-pina)(H2O)2]·H2O}n (2, meoip = 5-methoxyisophthalate) both manifest simple 1-D chain structures with pendant 3-pina ligands. [Cd(mip)(3-pina)]n (3, mip = 5-methylisophthalate) possesses [Cd(mip)]n 1-D chains featuring {Cd2(OCO)2} dimeric units, linked by tethering 3-pina ligands into a non-interpenetrated 3-D 6-connected 41263 pcu network. Luminescent behavior in all cases is attributed to intra-ligand molecular orbital transitions.

  16. Two-semiconductive-component hybrid coordination polymers with controllable photo-induced electron-transfer properties.

    PubMed

    Liu, Jian-Jun; Chen, Yong; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wen-Xin

    2016-04-12

    Two semiconductive inorganic-organic hybrid coordination polymers constructed from metal iodide clusters and naphthalene diimide semiconductive components, [Cu2I2(DPNDI)]n () and [PbI2(DPNDI)]n () (DPNDI = N,N'-di-(4-pyridyl)-1,4,5,8-naphthalene diimide), have been synthesized and characterized. Although possessing similar 2D heterostructures, hybrids exhibited different photo-induced electron-transfer properties. Due to the higher HOMO energy level of the [Cu2I2]n chain than that of the [PbI2]n cluster, only hybrid can easily undergo intramolecular electron transfer to form a long-lived charge separated state, which may be applied in artificial photosynthesis. PMID:26985714

  17. Syntheses and structures of three transition metal coordination polymers based on 5-Aminonicotinic acid

    NASA Astrophysics Data System (ADS)

    Jiang, Ya-Hui; Wu, Wei-Ping; Yang, Guo-Ping; Jin, Jun-Cheng; Xi, Zheng-Ping; Wang, Yao-Yu

    2015-07-01

    Three new coordination polymers (CPs) based on rigid ligand 5-Aminonicotinic acid (5-anaH), [Cd(5-ana)2]·(H2O)2 (1), [Cd(5-ana)(HCOO) ] (2) and [Cu(5-ana)2] (3), have been synthesized under different solvent media and temperatures. All CPs are characterized by single crystal X-ray diffraction, elemental analysis, IR spectroscopy, powder X-ray diffraction and thermogravimetric analysis. Compound 1 is a two-dimensional (2D) (4,4)-connected layered structure contains 1D open channels. 2 shows a 2-nodal (3,5)-connected three-dimensional (3D) framework with {52·6}{53·63·73·8} topology. While 3 displays a 3D (3,6)-connected homochiral framework with {42·6}2{44·62·85·104} topology. The solid-state photoluminescence for 1 and 2 were also studied.

  18. A novel copper(II) coordination polymer with carboxylate and isoindol backbones of a bifunctional ligand

    NASA Astrophysics Data System (ADS)

    Patra, Ayan; Sen, Tamal K.; Musie, Ghezai T.; Mandal, Swadhin K.; Bera, Manindranath

    2013-09-01

    The reaction of a bifunctional ligand, 3-(1-oxo-1,3-dihydro-isoindol-2-yl)-propionic acid (Hpda) with Cu(NO3)2ṡ3H2O in methanol-water in the presence of NaOH at room temperature produces a novel dinuclear copper(II) coordination polymer [Cu2(pda)4]n. The complex is fully characterized in the solid state as well as in solution using various analytical techniques including single crystal X-ray diffraction study. The single crystal X-ray structure analysis reveals that the monomeric unit of complex consists of Cu2(O2CR)4 paddlewheel building unit, where the two copper centers acquire a distorted square pyramidal geometry with amide oxygen of the isoindol ring of an adjacent Hpda ligand sitting on the axial positions.

  19. 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

  20. 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. PMID:25313521

  1. Biocompatible Infinite Coordination Polymer Nanoparticle –Nucleic Acid Conjugates For Antisense Gene Regulation

    PubMed Central

    Merkel, Timothy J.; Briley, William E.; Randeria, Pratik S.; Narayan, Suguna P.; Rouge, Jessica L.; Walker, David A.; Scott, Alexander W.

    2014-01-01

    Herein, we report the synthesis of DNA-functionalized infinite coordination polymer (ICP) nanoparticles as biocompatible gene regulation agents. ICP nanoparticles were synthesized from ferric nitrate and a ditopic 3-hydroxy-4-pyridinone (HOPO) ligand bearing a pendant azide. Addition of FeIII to a solution of the ligand produced nanoparticles, which were colloidally unstable in the presence of salts. Conjugation of DNA to the FeIII-HOPO ICP particles, via copper-free click chemistry, afforded colloidally stable nucleic acid nanoconstructs. The DNA-ICP particles, when cross-linked through sequence-specific hybridization, exhibit narrow, highly cooperative melting transitions consistent with dense DNA surface loading. The ability of the DNA-ICP particles to enter cells and alter protein expression was also evaluated. Our results indicate these novel particles carry nucleic acids into mammalian cells without the need for transfection agents and are capable of efficient gene knockdown. PMID:25393766

  2. 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.

  3. 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.

  4. 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.

  5. Structural and luminescence modulation in 8-hydroxyquinolinate-based coordination polymers by varying the dicarboxylic acid.

    PubMed

    Yuan, Guozan; Hu, Guoli; Shan, Weilong; Jin, Suo; Gu, Qingyun; Chen, Jing

    2015-10-28

    Two Zn(ii) and Cd(ii) coordination polymers [ZnL2·2DMF] (1) and [CdL(OAc)] (2) were first synthesized by treating a novel 2-substituted 8-hydroxyquinolinate ligand HL involving a pyridyl group with zinc or cadmium salts. Two dicarboxylic acid ligands (H2BDC = 1,4-benzenedicarboxylic acid; H2BPDC = 4,4'-biphenyldicarboxylic acid) are employed as secondary auxiliary ligands to perform a systematic study on the structural diversities in the M(ii)-quinolinate frameworks. By introducing two dicarboxylate anions in the reaction system, four new polymers [Zn2L2(BDC)] (3), [Zn3L2I2(BPDC)·2MeOH·8H2O] (4), [Cd2L2(BDC)] (5) and [Cd2L2(BPDC)·2MeOH·4H2O] (6) were obtained. Complex 1 possesses a two-dimensional (2D) square grid containing meso-helical chains. Complex 2 is a 2D network fabricated by binuclear {Zn2} secondary building units (SBUs). Complexes 3 and 5 show a kind of 2D structure constructed by cyclic hexamers Zn6L4, which are divided into half by the coordinated BDC. In complex 4, the BPDC ligands bridge the 1D M(ii)-L chains into a 2D layered structure. Complex 6 presents an interesting 3D structure, in which the BPDC ligands link the binuclear Cd(ii) units into many meso-helical chains along the a and b axes. The diverse structures of complexes 1-6 indicate that the skeletons of dicarboxylate anions play an important role in the assembly of such different frameworks. Moreover, distinct fluorescence properties (emission wavelength and lifetime) of the complexes 1-6 were observed in the solid state. PMID:26399730

  6. The crystal structure, luminescence and nitrobenzene-sensing properties of a two-dimensional Mn(II) coordination polymer based on 2,6-bis(imidazol-1-yl)pyridine.

    PubMed

    Wang, Yin-Lin; Long, Ling-Liang; Zhang, Jin-Fang

    2015-06-01

    A two-dimensional Mn(II) coordination polymer (CP), poly[bis[μ2-2,6-bis(imidazol-1-yl)pyridine-κ(2)N(3):N(3')]bis(thiocyanato-κN)manganese] [Mn(NCS)2(C11H9N5)2]n, (I), has been obtained by the self-assembly reaction of Mn(ClO4)2·6H2O, NH4SCN and bent 2,6-bis(imidazol-1-yl)pyridine (2,6-bip). CP (I) was characterized by FT-IR spectroscopy, elemental analysis and single-crystal X-ray diffraction. The crystal structure features a unique two-dimensional (4,4) network with one-dimensional channels. The luminescence and nitrobenzene-sensing properties were explored in a DMF suspension, revealing that CP (I) shows a strong luminescence emission and is highly sensitive for nitrobenzene detection. PMID:26044322

  7. Nyquist phase relaxation in one-dimensional metal films

    NASA Astrophysics Data System (ADS)

    Echternach, P. M.; Gershenson, M. E.; Bozler, H. M.; Bogdanov, A. L.; Nilsson, B.

    1993-10-01

    We have measured the magnetoresistance of narrow (600-1000 Å) and thin (150-200 Å) gold films, one dimensional with respect to weak localization and electron-electron interaction effects. It is shown that electron-electron collisions with small energy transfer (Nyquist phase-breaking mechanism) govern the phase relaxation in such films over a wide temperature range. The Nyquist time τN was estimated from the magnetoresistance data on the basis of the theoretical dependence ΔRloc(H) that is applicable to the case when Nyquist phase relaxation dominates other phase-breaking proceses. The temperature dependence τN(T)~T-2/3 obtained in this way is in good agreement with the theoretical prediction for one-dimensional conductors.

  8. Versatile hydrothermal synthesis of one-dimensional composite structures

    NASA Astrophysics Data System (ADS)

    Luo, Yonglan

    2008-12-01

    In this paper we report on a versatile hydrothermal approach developed to fabricate one-dimensional (1D) composite structures. Sulfur and selenium formed liquid and adsorbed onto microrods as droplets and subsequently reacted with metallic ion in solution to produce nanoparticles-decorated composite microrods. 1D composites including ZnO/CdS, ZnO/MnS, ZnO/CuS, ZnO/CdSe, and FeOOH/CdS were successfully made using this hydrothermal strategy and the growth mechanism was also discussed. This hydrothermal strategy is simple and green, and can be extended to the synthesis of various 1D composite structures. Moreover, the interaction between the shell nanoparticles and the one-dimensional nanomaterials were confirmed by photoluminescence investigation of ZnO/CdS.

  9. Assessing the inherent uncertainty of one-dimensional diffusions

    NASA Astrophysics Data System (ADS)

    Eliazar, Iddo; Cohen, Morrel H.

    2013-01-01

    In this paper we assess the inherent uncertainty of one-dimensional diffusion processes via a stochasticity classification which provides an à la Mandelbrot categorization into five states of uncertainty: infra-mild, mild, borderline, wild, and ultra-wild. Two settings are considered. (i) Stopped diffusions: the diffusion initiates from a high level and is stopped once it first reaches a low level; in this setting we analyze the inherent uncertainty of the diffusion's maximal exceedance above its initial high level. (ii) Stationary diffusions: the diffusion is in dynamical statistical equilibrium; in this setting we analyze the inherent uncertainty of the diffusion's equilibrium level. In both settings general closed-form analytic results are established, and their application is exemplified by stock prices in the stopped-diffusions setting, and by interest rates in the stationary-diffusions setting. These results provide a highly implementable decision-making tool for the classification of uncertainty in the context of one-dimensional diffusions.

  10. Pairing correlations in a trapped one-dimensional Fermi gas

    NASA Astrophysics Data System (ADS)

    Kudla, Stephen; Gautreau, Dominique M.; Sheehy, Daniel E.

    2015-04-01

    We use a BCS-type variational wave function to study attractively interacting quasi-one-dimensional fermionic atomic gases, motivated by cold-atom experiments that access the one-dimensional regime using an anisotropic harmonic trapping potential (with trapping frequencies ωx=ωy≫ωz ) that confines the gas to a cigar-shaped geometry. To handle the presence of the trap along the z direction, we construct our variational wave function from the harmonic oscillator Hermite functions, which are the eigenstates of the single-particle problem. Using an analytic determination of the effective interaction among harmonic oscillator states along with a numerical solution of the resulting variational equations, we make specific experimental predictions for how pairing correlations would be revealed in experimental probes, such as the local density and the momentum correlation function.

  11. 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. PMID:25432043

  12. Chemically Reacting One-Dimensional Gas-Particle Flows

    NASA Technical Reports Server (NTRS)

    Tevepaugh, J. A.; Penny, M. M.

    1975-01-01

    The governing equations for the one-dimensional flow of a gas-particle system are discussed. Gas-particle effects are coupled via the system momentum and energy equations with the gas assumed to be chemically frozen or in chemical equilibrium. A computer code for calculating the one-dimensional flow of a gas-particle system is discussed and a user's input guide presented. The computer code provides for the expansion of the gas-particle system from a specified starting velocity and nozzle inlet geometry. Though general in nature, the final output of the code is a startline for initiating the solution of a supersonic gas-particle system in rocket nozzles. The startline includes gasdynamic data defining gaseous startline points from the nozzle centerline to the nozzle wall and particle properties at points along the gaseous startline.

  13. 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.

  14. 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}).

  15. 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.

  16. 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.

  17. One-dimensional Si nanolines in hydrogenated Si(001)

    NASA Astrophysics Data System (ADS)

    François, Bianco; Köster, Sigrun A.; Owen, James G. H.; Renner, Christoph; Bowler, David R.

    2012-02-01

    We present a detailed study of the structural and electronic properties of a self-assembled silicon nanoline embedded in the H-terminated silicon (001) surface, known as the Haiku stripe. The nanoline is a perfectly straight and defect free endotaxial structure of huge aspect ratio; it can grow micrometre long at a constant width of exactly four Si dimers (1.54 nm). Another remarkable property is its capacity to be exposed to air without suffering any degradation. The nanoline grows independently of any step edges at tunable densities, from isolated nanolines to a dense array of nanolines. In addition to these unique structural characteristics, scanning tunnelling microscopy and density functional theory reveal a one-dimensional state confined along the Haiku core. This nanoline is a promising candidate for the long sought after electronic solid-state one-dimensional model system to explore the fascinating quantum properties emerging in such reduced dimensionality. Phys. Rev. B, 84, 035328 (2011)

  18. 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.

  19. Incoherent tunneling effects in a one-dimensional quantum walk

    NASA Astrophysics Data System (ADS)

    Annabestani, Mostafa; Javad Akhtarshenas, Seyed; Abolhassani, Mohamad Reza

    2016-03-01

    In this article we investigate the effects of shifting position decoherence, arising from the incoherent tunneling effect in the experimental realization of the quantum walk, on the one-dimensional discrete time quantum walk. We show that in the regime of this type of noise the quantum behavior of the walker does not vanish, in contrast to the coin decoherence for which the walker undergoes a quantum-to-classical transition even for weak noise. In particular, we show that the quadratic dependence of the variance on the time and also the coin–position entanglement, i.e. two important quantum aspects of the coherent quantum walk, are preserved in the presence of tunneling decoherence. Furthermore, we present an explicit expression for the probability distribution of the decoherent one-dimensional quantum walk in terms of the corresponding coherent probabilities, and show that this type of decoherence smooths the probability distribution.

  20. Thermalization in a one-dimensional integrable system

    SciTech Connect

    Grisins, Pjotrs; Mazets, Igor E.

    2011-11-15

    We present numerical results demonstrating the possibility of thermalization of single-particle observables in a one-dimensional system, which is integrable in both the quantum and classical (mean-field) descriptions (a quasicondensate of ultracold, weakly interacting bosonic atoms are studied as a definite example). We find that certain initial conditions admit the relaxation of single-particle observables to the equilibrium state reasonably close to that corresponding to the Bose-Einstein thermal distribution of Bogoliubov quasiparticles.

  1. One-dimensional excitons in V-shaped quantum wires

    NASA Astrophysics Data System (ADS)

    Rinaldi, R.; Cingolani, R.; Lepore, M.; Ferrara, M.; Catalano, I. M.; Marti, U.; Martin, D.; Morier-Gemoud, U.; Ruterana, P.; Reinhart, F. K.

    We report a detailed study of one-dimensional excitons in a planar array of single V-shaped GaAs quantum wires. Two-photon absorption, magnetoluminescence and linear photoluminescence spectroscopy have been used to measure the exciton binding energy, the excited 2 p states of the excitons, the higher index transitions and the extension of the confined wavefunctions in the V-shaped region of the quantum wires.

  2. Cooling of a One-Dimensional Bose Gas

    NASA Astrophysics Data System (ADS)

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

    2016-01-01

    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. 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.

  4. One-Dimensional Quantum Walks with One Defect

    NASA Astrophysics Data System (ADS)

    Cantero, M. J.; Grünbaum, F. A.; Moral, L.; Velázquez, L.

    The CGMV method allows for the general discussion of localization properties for the states of a one-dimensional quantum walk, both in the case of the integers and in the case of the nonnegative integers. Using this method we classify, according to such localization properties, all the quantum walks with one defect at the origin, providing explicit expressions for the asymptotic return probabilities to the origin.

  5. Topological modes in one-dimensional solids and photonic crystals

    NASA Astrophysics Data System (ADS)

    Atherton, Timothy J.; Butler, Celia A. M.; Taylor, Melita C.; Hooper, Ian R.; Hibbins, Alastair P.; Sambles, J. Roy; Mathur, Harsh

    2016-03-01

    It is shown theoretically that a one-dimensional crystal with time-reversal and particle-hole symmetries is characterized by a topological invariant that predicts the existence or otherwise of edge states. This is confirmed experimentally through the construction and simulation of a photonic crystal analog in the microwave regime. It is shown that the edge mode couples to modes external to the photonic crystal via a Fano resonance.

  6. Coherent and incoherent motion in a one-dimensional lattice

    NASA Astrophysics Data System (ADS)

    Palenberg, M. A.; Silbey, R. J.; Pfluegl, W.

    2000-08-01

    We discuss a generalization of the Haken-Strobl-Reineker model for the diffusion coefficient of a particle (or an excitation) in a one-dimensional lattice. In the original treatment, the characteristic correlation time of the lattice vibrations is assumed to be the smallest time scale in the physical problem. We weaken this requirement and allow for longer correlation times. We discuss previous results in the context of our theory and present numerical examples.

  7. 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.

  8. 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

  9. Structure and magnetic properties of heterometallic coordination carboxylate polymers with cobalt and lithium atoms

    SciTech Connect

    Evstifeev, I. E.; Kiskin, M. A.; Bogomyakov, A. S.; Sidorov, A. A.; Novotortsev, V. M.; Eremenko, I. L.

    2011-09-15

    Reactions between lithium pivalate and cobalt coordination polymers [Co{sub 5}(OH{sub 2})(OH)(Piv){sub 9})L{sup 1}){sub 4}]{sub n} (I) and [Co{sub 2}(OH{sub 2})(Piv){sub 4}(L{sup 2}){sub 2}]{sub n} (II), where Piv-is the pivalate anion, L{sup 1} is pyrazine, and L{sup 2} is pyrimidine, result in new heterometallic polymers {l_brace}[Li{sub 2}Co{sub 2}(Piv){sub 6}(L{sup 1}){sub 2}]{sub 2}MeCN{r_brace}{sub n} (III), {l_brace}[Li{sub 2}Co{sub 2}(Piv){sub 6}(L{sup 2})]{sub 0.5}MeCN{r_brace}{sub n} (IV), and [Li{sub 2}Co{sub 2}(Piv){sub 6}(L{sup 2}){sub 2}]{sub n} (V). The resulting compounds contain tetra-nuclear {l_brace}Li{sub 2}Co{sub 2}(Piv){sub 6}{r_brace} fragments connected by neutral bridging ligands (pyrazine or pyrimidine) into layer structures. Crystal structures III-V are determined, and the magnetic properties of III and IV are studied.

  10. Photoligation of an amphiphilic polymer with mixed coordination provides compact and reactive quantum dots.

    PubMed

    Wang, Wentao; Kapur, Anshika; Ji, Xin; Safi, Malak; Palui, Goutam; Palomo, Valle; Dawson, Philip E; Mattoussi, Hedi

    2015-04-29

    We introduce a new set of multicoordinating polymers as ligands that combine two distinct metal-chelating groups, lipoic acid and imidazole, for the surface functionalization of QDs. These ligands combine the benefits of thiol and imidazole coordination to reduce issues of thiol oxidation and weak binding affinity of imidazole. The ligand design relies on the introduction of controllable numbers of lipoic acid and histamine anchors, along with hydrophilic moieties and reactive functionalities, onto a poly(isobutylene-alt-maleic anhydride) chain via a one-step nucleophilic addition reaction. We further demonstrate that this design is fully compatible with a novel and mild photoligation strategy to promote the in situ ligand exchange and phase transfer of hydrophobic QDs to aqueous media under borohydride-free conditions. Ligation with these polymers provides highly fluorescent QDs that exhibit great long-term colloidal stability over a wide range of conditions, including a broad pH range (3-13), storage at nanomolar concentration, under ambient conditions, in 100% growth media, and in the presence of competing agents with strong reducing property. We further show that incorporating reactive groups in the ligands permits covalent conjugation of fluorescent dye and redox-active dopamine to the QDs, producing fluorescent platforms where emission is controlled/tuned by Förster Resonance Energy Transfer (FRET) or pH-dependent charge transfer (CT) interactions. Finally, the polymer-coated QDs have been coupled to cell-penetrating peptides to facilitate intracellular uptake, while subsequent cytotoxicity tests show no apparent decrease in cell viability. PMID:25797052

  11. Gravitational anomalies and one-dimensional behavior of black holes

    NASA Astrophysics Data System (ADS)

    Majhi, Bibhas Ranjan

    2015-12-01

    It has been pointed out by Bekenstein and Mayo that the behavior of the black hole's entropy or information flow is similar to information flow through one-dimensional channel. Here I analyze the same issue with the use of gravitational anomalies. The rate of the entropy change ({dot{S}}) and the power ( P) of the Hawking emission are calculated from the relevant components of the anomalous stress tensor under the Unruh vacuum condition. I show that the dependence of {dot{S}} on the power is {dot{S}}∝ P^{1/2}, which is identical to that for the information flow in a one-dimensional system. This is established by using the (1+1)-dimensional gravitational anomalies first. Then the fact is further bolstered by considering the (1+3)-dimensional gravitational anomalies. It is found that, in the former case, the proportionality constant is exactly identical to the one-dimensional situation, known as Pendry's formula, while in the latter situation its value decreases.

  12. Quasi-one-dimensional metals on semiconductor surfaces with defects

    NASA Astrophysics Data System (ADS)

    Hasegawa, Shuji

    2010-03-01

    Several examples are known in which massive arrays of metal atomic chains are formed on semiconductor surfaces that show quasi-one-dimensional metallic electronic structures. In this review, Au chains on Si(557) and Si(553) surfaces, and In chains on Si(111) surfaces, are introduced and discussed with regard to the physical properties determined by experimental data from scanning tunneling microscopy (STM), angle-resolved photoemission spectroscopy (ARPES) and electrical conductivity measurements. They show quasi-one-dimensional Fermi surfaces and parabolic band dispersion along the chains. All of them are known from STM and ARPES to exhibit metal-insulator transitions by cooling and charge-density-wave formation due to Peierls instability of the metallic chains. The electrical conductivity, however, reveals the metal-insulator transition only on the less-defective surfaces (Si(553)-Au and Si(111)-In), but not on a more-defective surface (Si(557)-Au). The latter shows an insulating character over the whole temperature range. Compared with the electronic structure (Fermi surfaces and band dispersions), the transport property is more sensitive to the defects. With an increase in defect density, the conductivity only along the metal atomic chains was significantly reduced, showing that atomic-scale point defects decisively interrupt the electrical transport along the atomic chains and hide the intrinsic property of transport in quasi-one-dimensional systems.

  13. 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.

  14. Species segregation in one-dimensional granular-system simulations.

    PubMed

    Pantellini, F; Landi, S

    2008-02-01

    We present one-dimensional molecular dynamics simulations of a two-species, initially uniform, freely evolving granular system. Colliding particles swap their relative position with a 50% probability allowing for the initial spatial ordering of the particles to evolve in time and frictional forces to operate. Unlike one-dimensional systems of identical particles, two-species one-dimensional systems of quasi-elastic particles are ergodic and the particles' velocity distributions tend to evolve towards Maxwell-Boltzmann distributions. Under such conditions, standard fluid equations with merely an additional sink term in the energy equation, reflecting the non-elasticity of the interparticle collisions, provide an excellent means to investigate the system's evolution. According to the predictions of fluid theory we find that the clustering instability is dominated by a non-propagating mode at a wavelength of the order 10 pi L/N epsilon , where N is the total number of particles, L the spatial extent of the system and epsilon the inelasticity coefficient. The typical fluid velocities at the time of inelastic collapse are seen to be supersonic, unless N epsilon

  15. 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 secondary ligands and metal ions influence the fabrication of these inorganic–organic arrangements.

  16. Suppression of realgar cage degradation during complexation: formation of hybrid coordination polymers with As4S4, PAs3S3, and Cu(I) halide building blocks.

    PubMed

    Schwarz, Patrick; Wachter, Joachim; Zabel, Manfred

    2011-12-19

    Realgar, As(4)S(4), reacts with Cr(CO)(5)THF under cage degradation to give As(4)S(3)·Cr(CO)(5) (1). The reverse structural change is found if solutions of 1 in CH(2)Cl(2) react with equimolar amounts of PAs(3)S(3)·W(CO)(5) and CuX (X = Cl, Br, I) in CH(3)CN under biphasic diffusion conditions. The resulting coordination polymers 2-4 contain a reconstituted realgar molecule along with the PAs(3)S(3) cage. The crystal structures of (CuX)(As(4)S(4))(PAs(3)S(3)) (X = Cl: 2; Br: 3) are characterized by one-dimensional (1D) (CuX)(As(4)S(4)) strands, which are formed by alternating As(4)S(4) cages and CuX dumbbells. Terminal PAs(3)S(3) molecules are coordinated to copper by apical phosphorus and bridging realgar through sulfur. The As(3) triangles of the resulting (CuX)(As(4)S(4))(PAs(3)S(3)) strands interact with halides of neighbored strands to give a folded three-dimensional (3D) network. The structure of (CuI)(3)(As(4)S(4))(PAs(3)S(3)) (4) contains 1D (Cu(3)I(3))(n) strands as backbones, which are bridged by sulfur atoms of two η(1:2)-As(4)S(4) molecules while PAs(3)S(3) confines the resulting sheet. The As(3) triangles at the surface of the layers interact with iodide of the next layer to form a layered 3D network. PMID:22074415

  17. Magnetic and Photochromic Properties of a Manganese(II) Metal-Zwitterionic Coordination Polymer.

    PubMed

    Gong, Teng; Yang, Xiao; Sui, Qi; Qi, Yan; Xi, Fu-Gui; Gao, En-Qing

    2016-01-01

    The solvothermal reaction of Mn(ClO4)2, NaN3, and a rigid viologen-tethered tetracarboxylic acid (1,1'-bis(3,5-dicarboxyphenyl)-4,4'-bipyridinium chloride, [H4L]Cl2) led to a coordination polymer of formula [Mn4(L)(N3)6(H2O)2]n. X-ray analysis revealed a 3D coordination structure. The Mn(II) ions are connected by mixed azide and carboxylate bridges to give 2D layers, which are pillared by the viologen tether of the zwitterionic ligand. Magnetic analyses suggested that the compound features antiferromagnetism and field-induced metamagnetism. The compound also shows photochromic and photomagnetic properties. The long-range magnetic ordering is owed to the spin-canting structure of the Mn(II)-azide-carboxylate layer; the photochromism involves the formation of viologen radicals via photoinduced electron transfer, and the photomagnetism is related to the interactions between the metal ion and the photogenerated radicals. The study demonstrates a strategy for the design of new multifunctional materials with photoresponsive properties. PMID:26671046

  18. 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.

  19. Emission behaviour of a series of bimetallic Cd(ii)-Au(i) coordination polymers.

    PubMed

    Yamagishi, Akihiko; Kawasaki, Takeshi; Hiruma, Kei; Sato, Hisako; Kitazawa, Takafumi

    2016-05-01

    A series of bimetallic coordination polymers with the elemental composition of [Cd(II)L2][Au(CN)2]2, (L = 3-methylpyridine, 4-ethylpyridine, 3,5-lutidine and 3-fluoropyridine) were synthesized and their crystal structures were determined. In all of the investigated compounds, there existed a pair of Au-Au atoms whose interatomic distance was shorter than the sum of van der Waals radii (0.36 nm) as an indication of the aurophilic interaction. The compounds were emissive under the irradiation at 370 nm. The emission spectra recorded in the temperature range of 183-363 K were characterized by the vibronic structures with a peak spacing (Δν) of ca. 2000 cm(-1). The value of Δν was close to the stretching vibration of the coordinated C[triple bond, length as m-dash]N (2150-2170 cm(-1)). It was postulated that C[triple bond, length as m-dash]N groups participated in the emission processes through their vibronic coupling. In the case of L = 4-ethylpyridine, the lifetime of emission was measured in the same temperature range, leading to the conclusion that the activation energy of the non-radiative processes (ΔEa) was estimated to be 20 kJ mol(-1). PMID:27063188

  20. 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.

  1. 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 were also obtained. • The compounds are isostructural and the typical luminescent properties were observed in both structures.

  2. Guest responsivity of a two-dimensional coordination polymer incorporating a cholesterol-based co-ligand.

    PubMed

    Kajitani, Kazuki; Koshiyama, Tomomi; Hori, Akihiro; Ohtani, Ryo; Mishima, Akio; Torikai, Kohei; Ebine, Makoto; Oishi, Tohru; Takata, Masaki; Kitagawa, Susumu; Ohba, Masaaki

    2013-12-01

    To implement specific guest responsivity, a hydrophobic cholesterol-based co-ligand, cholest-5-en-3-yl-4-isonicotinate (Cholpy), was incorporated into a two-dimensional Hofmann-type Co(II)Ni(II) coordination polymer. The chemically programmed structure successfully demonstrated the unique guest response with remarkable chromatic changes. PMID:23877189

  3. Monocrystalline mesoporous metal oxide with perovskite structure: a facile solid-state transformation of a coordination polymer.

    PubMed

    Xu, Li; Bu, Fan-Xing; Hu, Ming; Jin, Chuan-Yin; Jiang, Dong-Mei; Zhao, Zhen-Jie; Zhang, Qing-Hong; Jiang, Ji-Sen

    2014-11-18

    Monocrystalline mesoporous BiFeO3 crystals were obtained via a multi-step single-crystal to single-crystal transformation of a coordination polymer, Bi[Fe(CN)6]·4H2O. This unique transformation process significantly decreased the crystallization temperature of perovskite oxide without losing high crystallinity. PMID:25259374

  4. 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(+)) and other ions can also be transported. If we can optimize the crystal structures, this could offer further improvements in terms of both conductivity and the working temperature range. Another useful characteristic of PCP/MOFs is their wide application to materials fabrication. We can easily prepare heterodomain crystal systems, such as core-shell or solid solution. Other anisotropic morphologies (thin film, nanocrystal, nanorod, etc.,) are also possible, with retention of the ion conductivity. The flexible nature also lets us design morphology-dependent ion-conduction behaviors that we cannot observe in the bulk state. We propose (1) multivalent ion and anion conductions with the aid of redox activity and defects in structures, (2) control of ion transport behavior by applying external stimuli, (3) anomalous conductivity at the hetero-solid-solid interface, and (4) unidirectional ion transport as in the ion channels in membrane proteins. In the future, scientists may use coordination polymers not only to achieve higher conductivity but also to control ion behavior, which will open new avenues in solid-state ionics. PMID:23730917

  5. 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.

  6. One-Dimensional Solutions for Transient Thermal Stresses in Functionally Graded Hollow Cylinders and Hollow Spheres

    NASA Astrophysics Data System (ADS)

    Ootao, Yoshihiro; Tanigawa, Yoshinobu

    2008-02-01

    This paper is concerned with the theoretical treatment of transient thermoelastic problems involving functionally graded hollow cylinders and hollow spheres due to uniform heat supply. The thermal and thermoelastic coefficients of the hollow cylinders and hollow spheres are expressed as power functions of the radial coordinate. The one-dimensional solutions for the temperature changes in a transient state and the thermoelastic response are obtained herein. Some numerical results are shown in figures. Furthermore, the influence of the material nonhomogeneity on the temperature change, displacements and stresses is investigated.

  7. 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.

  8. Copper(I) coordination polymers [{Cu(mu-X)}2{RP(mu-NtBu)}2]n (R = OC6H4OMe-o; X = Cl, Br, and I) and their reversible conversion into mononuclear complexes [CuX{(RP(mu-NtBu)2}2]: synthesis and structural characterization.

    PubMed

    Chandrasekaran, P; Mague, Joel T; Balakrishna, Maravanji S

    2006-08-21

    The reactions of cyclodiphosphazane cis-[tBuNP(OC6H4OMe-o)]2 (1) with 2 equiv of CuX in acetonitrile afforded one-dimensional Cu(I) coordination polymers [Cu2X2{tBuNP(OC6H4OMe-o)}2]n (2, X = Cl; 3, X = Br; 4, X = I). The crystal structures of 2 and 4 reveal a zigzag arrangement of [P(mu-N)(2)P] and [Cu(mu-X)(2)Cu] units in an alternating manner to form one-dimensional Cu(I) coordination polymers. The reaction between 1 and CuX in a 2:1 ratio afforded mononuclear tricoordinated copper(I) complexes of the type [CuX{(tBuNP(OC6H4OMe-o))2}2] (5, X = Cl; 6, X = Br; 7, X = I). The single-crystal structures were established for the mononuclear copper(I) complexes 5 and 6. When the reactant ratios are 1:1, the formation of a mixture of polymeric and mononuclear products was observed. The Cu(I) polymers (2-4) were converted into the mononuclear complexes (5-7) by reacting with 3 equiv of 1 in dimethyl sulfoxide. Similarly, the mononuclear complexes (5-7) were converted into the corresponding polymeric complexes (2-4) by reacting with 3 equiv of copper(I) halide under mild reaction conditions. PMID:16903722

  9. How to Define Variation of Physical Properties Normal to an Undulating One-Dimensional Object

    NASA Astrophysics Data System (ADS)

    Hsu, Hsiao-Ping; Binder, Kurt; Paul, Wolfgang

    2009-11-01

    One-dimensional flexible objects are abundant in physics, from polymers to vortex lines to defect lines and many more. These objects structure their environment and it is natural to assume that the influence these objects exert on their environment depends on the distance from the line object. But how should this be defined? We argue here that there is an intrinsic length scale along the undulating line that is a measure of its stiffness (i.e., orientational persistence), which yields a natural way of defining the variation of physical properties normal to the undulating line. We exemplify how this normal variation can be determined from a computer simulation for the case of a so-called bottle-brush polymer, where side chains are grafted onto a flexible backbone.

  10. 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.

  11. Quasi-one-dimensional pair density wave superconducting state

    NASA Astrophysics Data System (ADS)

    Soto-Garrido, Rodrigo; Cho, Gil Young; Fradkin, Eduardo

    2015-05-01

    We provide a quasi-one-dimensional model which can support a pair-density-wave (PDW) state, in which the superconducting (SC) order parameter modulates periodically in space, with gapless Bogoliubov quasiparticle excitations. The model consists of an array of strongly interacting one-dimensional systems, where the one-dimensional systems are coupled to each other by local interactions and tunneling of the electrons and Cooper pairs between them. Within the interchain mean-field theory, we find several SC states from the model, including a conventional uniform SC state, PDW SC state, and a coexisting phase of the uniform SC and PDW states. In this quasi-1D regime we can treat the strong correlation physics essentially exactly using bosonization methods and the crossover to the 2D system by means of interchain mean-field theory. The resulting critical temperatures of the SC phases generically exhibit a power-law scaling with the coupling constants of the array, instead of the essential singularity found in weak-coupling BCS-type theories. Electronic excitations with an open Fermi surface, which emerge from the electronic Luttinger liquid systems below their crossover temperature to the Fermi liquid, are then coupled to the SC order parameters via the proximity effect. From the Fermi surface thus coupled to the SC order parameters, we calculate the quasiparticle spectrum in detail. We show that the quasiparticle spectrum can be fully gapped or nodal in the uniform SC phase and also in the coexisting phase of the uniform SC and PDW parameters. In the pure PDW state, the excitation spectrum has a reconstructed Fermi surface in the form of Fermi pockets of Bogoliubov quasiparticles.

  12. 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.

  13. 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 structures have been observed. • The properties of second harmonic generation and ferroelectricity for complex 2.

  14. Irrational anomalies in one-dimensional Anderson localization

    NASA Astrophysics Data System (ADS)

    Sepehrinia, Reza

    2010-07-01

    We revisit the problem of one-dimensional Anderson localization, by providing perturbative expression for Lyapunov exponent of Anderson model with next-nearest-neighbor (nnn) hopping. By comparison with exact numerical results, we discuss the range of validity of the naive perturbation theory. The stability of band center anomaly is examined against the introduction of nnn hopping. New anomalies of Kappus-Wegner type emerge at nonuniversal values of wavelength when hopping to second neighbor is allowed. It is shown that covariances in the first order of perturbation theory, develop singularities at these resonant energies which enable us to locate them.

  15. One-dimensional hydrodynamic model generating a turbulent cascade

    NASA Astrophysics Data System (ADS)

    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.

  16. One-dimensional electron system over liquid helium

    NASA Astrophysics Data System (ADS)

    Kovdrya, Yu. Z.; Nikolaenko, V. A.; Gladchenko, S. P.

    2000-07-01

    A system close to a one-dimensional (1D) electron system on superfluid helium is realized in the experiments. A profiled substrate with a small dielectric constant is used to create a set of parallel channels on the surface of liquid helium. The mobility of carriers was measured in this system in the temperature range 0.5-1.8 K. For clean substrates the electron mobility increases with decreasing temperature and reaches high values at low temperatures. The results of experiments are found to be in a good agreement with the existing theory.

  17. 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)

  18. Coupling Identical one-dimensional Many-Body Localized Systems

    NASA Astrophysics Data System (ADS)

    Bordia, Pranjal; Lüschen, Henrik P.; Hodgman, Sean S.; Schreiber, Michael; Bloch, Immanuel; Schneider, Ulrich

    2016-04-01

    We experimentally study the effects of coupling one-dimensional many-body localized systems with identical disorder. Using a gas of ultracold fermions in an optical lattice, we artificially prepare an initial charge density wave in an array of 1D tubes with quasirandom on-site disorder and monitor the subsequent dynamics over several thousand tunneling times. We find a strikingly different behavior between many-body localization and Anderson localization. While the noninteracting Anderson case remains localized, in the interacting case any coupling between the tubes leads to a delocalization of the entire system.

  19. 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.

  20. Bioheat transfer problem for one-dimensional spherical biological tissues.

    PubMed

    Kengne, Emmanuel; Lakhssassi, Ahmed

    2015-11-01

    Based on the Pennes bioheat transfer equation with constant blood perfusion, we set up a simplified one-dimensional bioheat transfer model of the spherical living biological tissues for application in bioheat transfer problems. Using the method of separation of variables, we present in a simple way the analytical solution of the problem. The obtained exact solution is used to investigate the effects of tissue properties, the cooling medium temperature, and the point-heating on the temperature distribution in living bodies. The obtained analytical solution can be useful for investigating thermal behavior research of biological system, thermal parameter measurements, temperature field reconstruction and clinical treatment. PMID:26327484

  1. Andreev Bound States in a One-Dimensional Topological Superconductor

    NASA Astrophysics Data System (ADS)

    Liu, Xiong-Jun

    2012-09-01

    We study the charge character of the Andreev bound states (ABSs) in one-dimensional topological superconductors with spatial inversion symmetry (SIS) breaking. Despite the absence of the SIS, we show a hidden symmetry for the Bogoliubov-de Gennes equations around Fermi points in addition to the particle-hole symmetry. This hidden symmetry protects that the charge of the ABSs is solely dependent on the corresponding Fermi velocities. On the other hand, if the SIS is present, the ABSs are charge neutral, similar to Majorana fermions. We also propose that the charge of the ABSs can be experimentally measured in the tunneling transport spectroscopy from the resonant differential tunneling conductance.

  2. Segregation in a One-Dimensional Model of Interacting Species

    NASA Astrophysics Data System (ADS)

    Frachebourg, L.; Krapivsky, P. L.; Ben-Naim, E.

    1996-09-01

    We investigate segregation and spatial organization in a one-dimensional system of N competing species forming a cyclic food chain. For N<5, the system organizes into single-species domains, with an algebraically growing average size. For N = 3 and N = 4, the domains are correlated and they organize into ``superdomains'' which are characterized by an additional length scale. We present scaling arguments as well as numerical simulations for the leading asymptotic behavior of the density of interfaces separating neighboring domains. We also discuss statistical properties of the system such as the mutation distribution and present an exact solution for the case N = 3.

  3. One-dimensional physics in the 21st century

    NASA Astrophysics Data System (ADS)

    Giamarchi, Thierry

    2016-03-01

    This paper presents a brief introduction to some of the systems and questions concerning one-dimensional interacting quantum systems. Historically, organic conductors and superconductors - a field extremely active in the "Laboratoire de physique des solides" in Orsay, in a good part thanks to the influence of Jacques Friedel, played a crucial role in this field. I will describe some of the aspects of this physics and also review some of the very exciting theoretical and experimental developments that took place in the 1D world in the last 15 years or so. xml:lang="fr"

  4. Quantum quenches and thermalization in one-dimensional systems

    NASA Astrophysics Data System (ADS)

    Rigol, Marcos

    2010-03-01

    We use quantum quenches to study the dynamics and thermalization of hardcore bosons and fermions in finite one-dimensional lattices. We perform exact diagonalizations and find that, far away from integrability, few-body observables thermalize. We then study the breakdown of thermalization as one approaches an integrable point. This is found to be a smooth process in which the predictions of standard statistical mechanics continuously worsen as the system moves toward integrability. We establish a direct connection between the presence or absence of thermalization and the validity or failure of the eigenstate thermalization hypothesis, respectively.ReferencesM. Rigol, Phys. Rev. Lett. 103, 100403 (2009); Phys. Rev. A 80, 053607 (2009).

  5. Exciton recombination in one-dimensional organic Mott insulators

    NASA Astrophysics Data System (ADS)

    Lenar?i?, Zala; Eckstein, Martin; Prelovek, Peter

    2015-11-01

    We present a theory for the recombination of (charged) holons and doublons in one-dimensional organic Mott insulators, which is responsible for the decay of the photoexcited state. Due to the charge-spin separation, the dominant mechanism for recombination at low density of charges involves a multiphonon emission. We show that a reasonable coupling to phonons is sufficient to explain the fast recombination observed by pump-probe experiments in ET -F2TCNQ , whereby we can also account for the measured pressure dependence of the recombination rate.

  6. 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)

  7. 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. PMID:26849577

  8. New universal bifurcation scenario in one-dimensional trimodal maps

    NASA Astrophysics Data System (ADS)

    Zhou, Zhong; Cao, Ke-Fei; Peng, Shou-Li

    2008-05-01

    By means of star products and high precision numerical calculation, an abnormal phenomenon is found in period- p-tupling bifurcation processes in one-dimensional trimodal maps. A route of transition to chaos, presented by a right-associative non-normal star product, breaks the Feigenbaum's metric universality, namely, the conventional Feigenbaum's successive rates exhibit a strong divergence. To overcome the divergence, an approximate scheme of accelerating convergence is proposed; and the Feigenbaum scenario is included as a special case in the new bifurcation scenario. It will provide access to understanding non-normal star products and their corresponding renormalization.

  9. Coupling Identical one-dimensional Many-Body Localized Systems.

    PubMed

    Bordia, Pranjal; Lüschen, Henrik P; Hodgman, Sean S; Schreiber, Michael; Bloch, Immanuel; Schneider, Ulrich

    2016-04-01

    We experimentally study the effects of coupling one-dimensional many-body localized systems with identical disorder. Using a gas of ultracold fermions in an optical lattice, we artificially prepare an initial charge density wave in an array of 1D tubes with quasirandom on-site disorder and monitor the subsequent dynamics over several thousand tunneling times. We find a strikingly different behavior between many-body localization and Anderson localization. While the noninteracting Anderson case remains localized, in the interacting case any coupling between the tubes leads to a delocalization of the entire system. PMID:27104685

  10. Adiabatic pumping in the quasi-one-dimensional triangle lattice

    NASA Astrophysics Data System (ADS)

    Schulze, Michael; Bercioux, Dario; Urban, Daniel F.

    2013-01-01

    We analyze the properties of the quasi-one-dimensional triangle lattice emphasizing the occurrence of flat bands and band touching via the tuning of the lattice hopping parameters and on-site energies. The spectral properties of the infinite system will be compared with the transmission through a finite piece of the lattice with attached semi-infinite leads. Furthermore, we investigate the adiabatic pumping properties of such a system: Depending on the transmission through the lattice, this results in nonzero integer charge transfers or transfers that increase linearly with the lattice size.

  11. Discrete breathers in one-dimensional diatomic granular crystals.

    PubMed

    Boechler, N; Theocharis, G; Job, S; Kevrekidis, P G; Porter, Mason A; Daraio, C

    2010-06-18

    We report the experimental observation of modulational instability and discrete breathers in a one-dimensional diatomic granular crystal composed of compressed elastic beads that interact via Hertzian contact. We first characterize their effective linear spectrum both theoretically and experimentally. We then illustrate theoretically and numerically the modulational instability of the lower edge of the optical band. This leads to the dynamical formation of long-lived breather structures, whose families of solutions we compute throughout the linear spectral gap. Finally, we experimentally observe the manifestation of the modulational instability and the resulting generation of localized breathing modes with quantitative characteristics that agree with our numerical results. PMID:20867305

  12. 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.

  13. One-dimensional ultracold medium of extreme optical depth.

    PubMed

    Blatt, Frank; Halfmann, Thomas; Peters, Thorsten

    2014-02-01

    We report on the preparation of a one-dimensional ultracold medium in a hollow-core photonic crystal fiber, reaching an effective optical depth of 1000(150). We achieved this extreme optical depth by transferring atoms from a magneto-optical trap into a far-detuned optical dipole trap inside the hollow-core fiber, yielding up to 2.5(3)×10(5) atoms inside the core with a loading efficiency of 2.5(6)%. The preparation of an ultracold medium of such huge optical depth paves the way toward new applications in quantum optics and nonlinear optics. PMID:24487836

  14. Time delay in simple one-dimensional systems

    NASA Astrophysics Data System (ADS)

    van Dijk, W.; Kiers, K. A.

    1992-06-01

    The time delay or the time advance in the scattering of simple one-dimensional systems can be evaluated in a straightforward manner for certain potential models. It is found that when the interacting potential is attractive and has a strength such that it nearly supports an additional bound state, the time delay at small scattering energy is very large. On the other hand, if the potential supports a bound state with nearly zero binding energy, the time advance near threshold is anomalously large. The behavior of a wave packet scattering from the double delta-function potential is also investigated.

  15. One-dimensional description of cylindrically symmetric laser beams: application to Bessel-type nondiffracting beams

    NASA Astrophysics Data System (ADS)

    Rousseau, Guy; Gay, David; Piché, Michel

    2005-07-01

    We introduce a new representation of coherent laser beams that are usually described in circular cylindrical coordinates. This representation is based on the decomposition of a laser beam of a given azimuthal order into beams exhibiting Cartesian symmetry. These beams, which we call constituent waves, diffract along only one of their transverse dimensions and propagate noncollinearly with the propagation axis. A cylindrically symmetric laser beam is then considered a coherent superposition of constituent waves and is represented by an integral over an angular variable. Such a representation allows for the introduction of the propagation factor M2, defined in terms of one-dimensional root-mean-square (rms) quantities, in the treatment of two-dimensional beams. The representation naturally leads to the definition of a new rms parameter that we call the quality factor Q. It is shown that the quality factor defines in quantitative terms the nondiffracting character of a laser beam. The representation is first applied to characterize Laguerre-Gauss beams in terms of these one-dimensional rms parameters. This analysis reveals an asymptotic link between Laguerre-Gauss beams and one-dimensional Hermite-Gauss beams in the limit of high azimuthal orders. The representation is also applied to Bessel-Gauss beams and demonstrates the geometrical and one-dimensional characters of the Bessel-Gauss beams that propagate in a nondiffracting regime. By using two separate rms parameters, Q and M2, our approach gives an alternative way to describe laser beam propagation that is especially well suited to characterize Bessel-type nondiffracting beams.

  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. One-Dimensional Shell Effects in Thin Metal Films

    NASA Astrophysics Data System (ADS)

    Chiang, T.-C.

    2010-03-01

    During epitaxial growth and thermal processing of metal thin films on semiconductors, the system often self-organizes into domains or islands of preferred heights. This extra stability for specific film thicknesses has an electronic origin; confinement of the electrons in the film causes the formation of quantum-well states, which cross the Fermi level periodically as the film thickness increases. These periodic Fermi level crossings give rise to one-dimensional shell effects, akin to the shell effects associated with the periodic table. As a result, large variations in film properties are expected, including the surface energy that determines the stability and preferred heights of the film, the work function and other surface properties, and the superconducting gap and transition temperature. This talk will present highlights in recent advances on this subject, including angle-resolved photoemission measurements of the electronic structure and experimental and theoretical determinations of the amplitude, damping, period, and phase relationships of the property variations. The roles played by the substrate and the effects of phonon scattering will also be discussed. See T. Miller, M. Y. Chou, and T.-Chiang, ``Phase relations associated with one-dimensional shell effects in thin metal films,'' Phys. Rev. Lett. 102, 236803 (2009), and references therein.

  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. Exploring one-dimensional quantum mechanics with transfer matrices

    NASA Astrophysics Data System (ADS)

    Walker, James S.; Gathright, J.

    1994-05-01

    An exact transfer-matrix formalism is developed for analyzing and solving problems in one-dimensional quantum mechanics. We show that with only three general-purpose matrices—one to propagate a wave function over a region of constant potential, one to take a wave function over a discontinuity in a potential, and one to connect a wave function across a delta function—a rich and intriguing variety of behavior is revealed. Not only are standard results recovered with this technique, in ways suitable for presentation in the classroom, but new findings and applications are discussed as well. A primary advantage of the transfer-matrix approach is that it facilitates wide-ranging explorations of one-dimensional quantum mechanics by both students and researchers, especially when implemented with Mathematica. For those interested in pursuing independent explorations, an electronic, interactive version of this paper, complete with the figures given here and the code that generates them, is available over Internet as a Mathematica notebook.

  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. 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.

  2. Redox and catalysis 'all-in-one' infinite coordination polymer for electrochemical immunosensor of tumor markers.

    PubMed

    Zhang, Bing; Liu, Bingqian; Chen, Guonan; Tang, Dianping

    2015-02-15

    Prostate-specific antigen (PSA), as a glycoprotein enzyme encoded in humans by the KLK3 gene, is one of the most important biomarkers for the diagnosis and prognosis of prostate cancer. Herein, a new electrochemical immunosensor for sensitive determination of PSA was designed by using redox and catalysis 'all-in-one' infinite coordination polymer (PtNP@ICP) as signal tag on the polyamidoamine dendrimers modified electrode interface. To construct such 'all-in-one' PtNP@ICP nanostructures, the coordination polymerization was fully carried between metal ions and polydentate bridging ligands, and the PtNP was encapsulated into the ICP in the process of polymerization. The prepared PtNP@ICP nanocatalyst was characterized by transmission electron microscope (TEM), energy dispersive X-ray spectrometry (EDX), ultraviolet and visible (UV-vis) spectrophotometry and Fourier transform infrared spectroscope (FTIR). And the synthesized PtNP@ICP was utilized as signal tag for the label of PSA. With a sandwich-type immunoassay format, the conjugated signal tag on the transducer increased with the increasing PSA concentration in the sample thus enhancing the signal of the electrochemical immunosensor due to the catalytic reduction toward H2O2 of the enveloped PtNP. Under optimal conditions, the current was proportional to the logarithm of PSA concentration ranging from 0.001 to 60 ng/mL. The detection limit (LOD) was 0.3 pg/mL at 3 sB. The immunosensor displayed an acceptable reproducibility, stability and selectivity. In addition, the methodology was evaluated with human serum specimens receiving good correlation with results from commercialized enzyme-linked immunosorbent assay (ELISA) method. PMID:25173732

  3. N-(sulfoethyl) iminodiacetic acid-based lanthanide coordination polymers: Synthesis, magnetism and quantum Monte Carlo studies

    SciTech Connect

    Zhuang Guilin; Chen Wulin; Zheng Jun; Yu Huiyou; Wang Jianguo

    2012-08-15

    A series of lanthanide coordination polymers have been obtained through the hydrothermal reaction of N-(sulfoethyl) iminodiacetic acid (H{sub 3}SIDA) and Ln(NO{sub 3}){sub 3} (Ln=La, 1; Pr, 2; Nd, 3; Gd, 4). Crystal structure analysis exhibits that lanthanide ions affect the coordination number, bond length and dimension of compounds 1-4, which reveal that their structure diversity can be attributed to the effect of lanthanide contraction. Furthermore, the combination of magnetic measure with quantum Monte Carlo(QMC) studies exhibits that the coupling parameters between two adjacent Gd{sup 3+} ions for anti-anti and syn-anti carboxylate bridges are -1.0 Multiplication-Sign 10{sup -3} and -5.0 Multiplication-Sign 10{sup -3} cm{sup -1}, respectively, which reveals weak antiferromagnetic interaction in 4. - Graphical abstract: Four lanthanide coordination polymers with N-(sulfoethyl) iminodiacetic acid were obtained under hydrothermal condition and reveal the weak antiferromagnetic coupling between two Gd{sup 3+} ions by Quantum Monte Carlo studies. Highlights: Black-Right-Pointing-Pointer Four lanthanide coordination polymers of H{sub 3}SIDA ligand were obtained. Black-Right-Pointing-Pointer Lanthanide ions play an important role in their structural diversity. Black-Right-Pointing-Pointer Magnetic measure exhibits that compound 4 features antiferromagnetic property. Black-Right-Pointing-Pointer Quantum Monte Carlo studies reveal the coupling parameters of two Gd{sup 3+} ions.

  4. Validity of one-dimensional QED for a system with spatial symmetry

    NASA Astrophysics Data System (ADS)

    Lv, Q. Z.; Christensen, N. D.; Su, Q.; Grobe, R.

    2015-11-01

    We examine the accuracy of an intrinsically one-dimensional (1D) quantum electrodynamics to predict accurately the forces and charges of a three-dimensional (3D) system that has a high degree of symmetry and therefore depends effectively only on a single coordinate. As a test case we analyze two charged capacitor plates that are infinitely extended along two coordinate directions. Using the lowest-order fine-structure correction to the photon propagator we compute the vacuum's induced charge polarization density and show that the force between the charged plates is increased. Although a one-dimensional theory cannot take the transverse character of the virtual (force-mediating) photons into account, nevertheless it predicts, in lowest order of the fine-structure constant, the Coulomb force law between the plates correctly. However, the quantum correction to the classical result is slightly different between the 1D and 3D theories with the polarization charge density induced from the vacuum underestimated by the 1D approach.

  5. Syntheses, structures, and properties of multidimensional lithium coordination polymers based on aliphatic carboxylic acids.

    PubMed

    Cheng, Pei-Chi; Lin, Wei-Cheng; Tseng, Feng-Shuen; Kao, Ching-Che; Chang, Ting-Guang; Senthil Raja, Duraisamy; Liu, Wei-Ren; Lin, Chia-Her

    2013-02-28

    Three lithium coordination polymers, [Li4(H2O)2(EDTA)] (1), [Li4(H2O)4(BTCA)] (2), and (H2NMe2)2[Li2(H2O)2(BTCA)] (3) (H4EDTA = ethylenediaminetetraacetic acid, H4BTCA = 1,2,3,4-butane tetracarboxylic acid, H2NMe2 = dimethyl amine), have been synthesized by reacting lithium salts with aliphatic carboxylic acids using a solvothermal method. The structures of all the three complexes have been determined by single crystal X-ray diffraction studies. The single crystal structure analysis revealed that complex 1 has a three-dimensional framework, whereas complex 2 has 2D sheets and complex 3 has 1D chains. In addition, these lithium complexes contain various inorganic motifs with a tetramer in 1 and 2, and discrete tetrahedra in 3 and have further been connected through organic ligands to construct multidimensional structures. Further, the electrochemical properties of complexes 1–3 have been studied to evaluate these compounds as electrode materials for lithium ion batteries with discharge capacities of around 100 mA h g(-1) in the first thirty cycles. PMID:23235699

  6. Dual-Emission Luminescence of Magnesium Coordination Polymers Based on Mixed Organic Ligands.

    PubMed

    Wu, Zhao-Feng; Tan, Bin; Deng, Zhong-Hua; Xie, Zai-Lai; Fu, Jing-Jing; Shen, Nan-Nan; Huang, Xiao-Ying

    2016-01-22

    Presented herein are two luminescent magnesium coordination polymers (Mg-CPs), namely [Mg2 (H2O)2 (2-NDC)4 (1,10-phen)2] (1) and [Mg2 (H2O)(1,4-NDC)2 (1,10-phen)] (2), in which 2-NDCH=2-naphthalenecarboxylic acid, 1,4-NDCH2 =1,4-naphthalene dicarboxylic acid, and 1,10-phen=1,10-phenanthroline. Based on the mixed ligands, the title compounds exhibit linker-based photoluminescence (PL) properties thanks to the unique configuration of the Mg(2+) ions. The two compounds show interesting dual emission on excitation of the different luminophores of the mixed linkers. In particular, the emissions of compound 2 could be tuned from green to yellow simply by varying the excitation energies. Furthermore, 2 could be excited by using a commercial λ=450 nm blue LED chip to generate white-light emission, which allows the fabrication of a white-light-emitting diode (WLED) with 20 lm W(-1) luminous efficacy. This work may provide a new method for designing tunable PL CPs by using the low-cost and abundant magnesium ion. PMID:26661529

  7. Porous coordination polymers as novel sorption materials for heat transformation processes.

    PubMed

    Janiak, Christoph; Henninger, Stefan K

    2013-01-01

    Porous coordination polymers (PCPs)/metal-organic frameworks (MOFs) are inorganic-organic hybrid materials with a permanent three-dimensional porous metal-ligand network. PCPs or MOFs are inorganic-organic analogs of zeolites in terms of porosity and reversible guest exchange properties. Microporous water-stable PCPs with high water uptake capacity are gaining attention for low temperature heat transformation applications in thermally driven adsorption chillers (TDCs) or adsorption heat pumps (AHPs). TDCs or AHPs are an alternative to traditional air conditioners or heat pumps operating on electricity or fossil fuels. By using solar or waste heat as the operating energy TDCs or AHPs can significantly help to minimize primary energy consumption and greenhouse gas emissions generated by industrial or domestic heating and cooling processes. TDCs and AHPs are based on the evaporation and consecutive adsorption of coolant liquids, preferably water, under specific conditions. The process is driven and controlled by the microporosity and hydrophilicity of the employed sorption material. Here we summarize the current investigations, developments and possibilities of PCPs/MOFs for use in low-temperature heat transformation applications as alternative materials for the traditional inorganic porous substances like silica gel, aluminophosphates or zeolites. PMID:23945102

  8. Surfactant-Assisted Nanocrystalline Zinc Coordination Polymers: Controlled Particle Sizes and Synergistic Effects in Catalysis.

    PubMed

    Huang, Chao; Wang, Huarui; Wang, Xiaolu; Gao, Kuan; Wu, Jie; Hou, Hongwei; Fan, Yaoting

    2016-04-25

    Different morphologies and particle sizes of two crystalline zinc-based coordination polymers (CPs), [Zn(pytz)H2 O]n (1; H2 pytz=2,6-bis(tetrazole)pyridine) and [Zn2 (pytz)2 4 H2 O] (2), from the bulk scale to the nanoscale, could be obtained under solvothermal conditions with different surfactants (polyvinylpyrrolidone (PVP) or polyethylene glycol (PEG) 2000) as templates. PVP and PEG 2000 could act as capping and structure-directing agents, respectively, to influence the growth of crystalline particles and control their sizes. CP 1 exhibits a two-dimensional framework with window-like units and 2 shows a bimetallic structure. Nanocrystalline 1 and 2 were used as heterogeneous catalysts to study how adjacent catalytic active sites synergistically effected their catalytic reactivities in the direct catalytic conversion of aromatic dinitriles into oxazolines. The results showed that 1 produced bis-oxazolines as the sole products, whereas 2 gave the mono-oxazolines as the major products under the same reaction conditions. PMID:26997347

  9. Porous coordination polymers with ubiquitous and biocompatible metals and a neutral bridging ligand

    NASA Astrophysics Data System (ADS)

    Noro, Shin-Ichiro; Mizutani, Junya; Hijikata, Yuh; Matsuda, Ryotaro; Sato, Hiroshi; Kitagawa, Susumu; Sugimoto, Kunihisa; Inubushi, Yasutaka; Kubo, Kazuya; Nakamura, Takayoshi

    2015-01-01

    The design of inexpensive and less toxic porous coordination polymers (PCPs) that show selective adsorption or high adsorption capacity is a critical issue in research on applicable porous materials. Although use of Group II magnesium(II) and calcium(II) ions as building blocks could provide cheaper materials and lead to enhanced biocompatibility, examples of magnesium(II) and calcium(II) PCPs are extremely limited compared with commonly used transition metal ones, because neutral bridging ligands have not been available for magnesium(II) and calcium(II) ions. Here we report a rationally designed neutral and charge-polarized bridging ligand as a new partner for magnesium(II) and calcium(II) ions. The three-dimensional magnesium(II) and calcium(II) PCPs synthesized using such a neutral ligand are stable and show selective adsorption and separation of carbon dioxide over methane at ambient temperature. This synthetic approach allows the structural diversification of Group II magnesium(II) and calcium(II) PCPs.

  10. Self-assembled nanoscale coordination polymers with trigger release properties for effective anticancer therapy

    PubMed Central

    Liu, Demin; Poon, Christopher; Lu, Kuangda; He, Chunbai; Lin, Wenbin

    2014-01-01

    Nanoscale coordination polymers (NCPs) are self-assembled from metal ions and organic bridging ligands, and can overcome many drawbacks of existing drug delivery systems by virtue of tunable compositions, sizes, and shapes; high drug loadings; ease of surface modification; and intrinsic biodegradability. Here we report the self-assembly of zinc bisphosphonate NCPs that carry 48±3 wt% cisplatin prodrug and 45±5 wt% oxaliplatin prodrug. In vivo pharmacokinetic studies in mice show minimal uptake of pegylated NCPs by the mononuclear phagocyte system and excellent blood circulation half-lives of 16.4±2.9 and 12.0±3.9 h for the NCPs carrying cisplatin and oxaliplatin, respectively. In all tumor xenograft models evaluated, including CT26 colon cancer, H460 lung cancer, and AsPC-1 pancreatic cancer, pegylated NCPs show superior potency and efficacy compared to free drugs. As the first example of using NCPs as nanotherapeutics with enhanced antitumor activities, this study establishes NCPs as a promising drug delivery platform for cancer therapy. PMID:24964370

  11. Natural gas purification using a porous coordination polymer with water and chemical stability.

    PubMed

    Duan, Jingui; Jin, Wanqin; Krishna, Rajamani

    2015-05-01

    Porous coordination polymers (PCPs), constructed by bridging the metals or clusters and organic linkers, can provide a functional pore environment for gas storage and separation. But the rational design for identifying PCPs with high efficiency and low energy cost remains a challenge. Here, we demonstrate a new PCP, [(Cu4Cl)(BTBA)8·(CH3)2NH2)·(H2O)12]·xGuest (PCP-33⊃guest), which shows high potential for purification of natural gas, separation of C2H2/CO2 mixtures, and selective removal of C2H2 from C2H2/C2H4 mixtures at ambient temperature. The lower binding energy of the framework toward these light hydrocarbons indicates the reduced net costs for material regeneration, and meanwhile, the good water and chemical stability of it, in particular at pH = 2 and 60 °C, shows high potential usage under some harsh conditions. In addition, the adsorption process and effective site for separation was unravelled by in situ infrared spectroscopy studies. PMID:25884592

  12. Porous coordination polymers with ubiquitous and biocompatible metals and a neutral bridging ligand

    PubMed Central

    Noro, Shin-ichiro; Mizutani, Junya; Hijikata, Yuh; Matsuda, Ryotaro; Sato, Hiroshi; Kitagawa, Susumu; Sugimoto, Kunihisa; Inubushi, Yasutaka; Kubo, Kazuya; Nakamura, Takayoshi

    2015-01-01

    The design of inexpensive and less toxic porous coordination polymers (PCPs) that show selective adsorption or high adsorption capacity is a critical issue in research on applicable porous materials. Although use of Group II magnesium(II) and calcium(II) ions as building blocks could provide cheaper materials and lead to enhanced biocompatibility, examples of magnesium(II) and calcium(II) PCPs are extremely limited compared with commonly used transition metal ones, because neutral bridging ligands have not been available for magnesium(II) and calcium(II) ions. Here we report a rationally designed neutral and charge-polarized bridging ligand as a new partner for magnesium(II) and calcium(II) ions. The three-dimensional magnesium(II) and calcium(II) PCPs synthesized using such a neutral ligand are stable and show selective adsorption and separation of carbon dioxide over methane at ambient temperature. This synthetic approach allows the structural diversification of Group II magnesium(II) and calcium(II) PCPs. PMID:25592677

  13. Spectroscopic properties and the catalytic activity of new organo-lead supramolecular coordination polymer containing quinoxaline

    NASA Astrophysics Data System (ADS)

    Etaiw, Safaa El-din H.; Abdou, Safaa N.

    2015-01-01

    The 3D-supramolecular coordination polymer (SCP) 3∞[ Cu2(CN)3(Me3Pb)(qox)], 1, as the first example of the CuCN SCP containing the (Me3Pb) fragment, was explored to investigate its catalytic and photo-catalytic activities. The structure of 1 contains two chemically identical but crystallographically different [Cu2(CN)3ṡMe3Pbṡqox]2 units with four Cu(I) sites assuming distorted TP-3 geometry. Two non-linear chains of equal abundance are formed producing corrugated parallel chains which are connected laterally by quinoxaline creating 2D-layers which are arranged parallel in an (AB⋯AB⋯AB)n fashion forming 3D-network. IR, mass, electronic absorption and fluorescence spectra are also investigated. The SCP 1 is diamagnetic and exhibits good catalytic and photo-catalytic activities for the degradation of methylene blue (MB). The reaction is first order with respect to MB dye. The irradiation of the reaction with UV-light enhanced the rate of MB mineralization. The efficiency of recycled the 1 and the mechanism of degradation of MB dye were investigated.

  14. Two novel metal-organic coordination polymers based on diphosphonate and oxalate: Synthesis, structures and properties

    NASA Astrophysics Data System (ADS)

    Niu, Qing-Jun; Zheng, Yue-Qing; Zhou, Lin-Xia; Zhu, Hong-Lin

    2015-07-01

    Two 2-(1-imidazole)-1-hydroxyl-1,1'-ethylidenediphosphonato and oxalic acid bridged coordination polymers (H2en)[Co3(H2zdn)2(ox)(H2O)2] (1) and Cd2(H2zdn)(ox)0.5(H2O) (2) (2-(1-imidazole)-1-hydroxyl-1,1'-ethylidenediphosphonic acid=H5zdn; oxalic acid=H2ox) were synthesized under hydrothermal conditions and characterized by the infrared (IR), thermogravimetric analyses (TGA), elemental analyses (EA) and X-ray diffraction (XRD). Compound 1 is bridged by phosphonate anions to 1D chain, and further linked by oxalate anions to 2D layer. Compound 2 is bridged by O-P-O units of H5zdn to the layer, and then pillared by oxalate anions to generate 3D frameworks. Compound 1 shows anti-ferromagnetic behaviors analyzed with the temperature-dependent zero-field ac magnetic susceptibilities, while compound 2 exhibits an influence on the luminescent property.

  15. Dependence of adsorption-induced structural transition on framework structure of porous coordination polymers

    NASA Astrophysics Data System (ADS)

    Numaguchi, Ryohei; Tanaka, Hideki; Watanabe, Satoshi; Miyahara, Minoru T.

    2014-01-01

    Porous coordination polymers (PCPs) with soft frameworks show a gate phenomenon consisting of an abrupt structural transition induced by adsorption of guest molecules. To understand the dependence of the gating behavior on the host framework structure, we conduct grand canonical Monte Carlo simulations and a free-energy analysis of a simplified model of a stacked-layer PCP. The interlayer width of the rigid layers composing the simplified model can be changed by guest adsorption and by varying the initial interlayer width h0, which is controlled by the length of pillars between the layers. We introduce three types of gating behavior, one-step gating, filling and gating, and double gating, which depend on three parameters: the initial interlayer width h0; the interaction parameter ɛss, which determines the host-guest framework interaction as well as the inter-framework interaction; and the elastic modulus of the framework, which depends on the stiffness of the pillars. We show that the one-step gating and the filling and gating behaviors depend strongly on h0 rather than on ɛss, and thus a transformation from filling and gating to double gating can be achieved by reducing the stiffness of the host framework. This study should be a guideline for controlling the gating pressure of PCPs by modifying their chemical components.

  16. Solvent-dependent zinc(II) coordination polymers with mixed ligands: selective sorption and fluorescence sensing.

    PubMed

    Hua, Ji-Ai; Zhao, Yue; Kang, Yan-Shang; Lu, Yi; Sun, Wei-Yin

    2015-07-01

    Starting from the same metal salts and mixed organic ligands of 1,3,5-tris(1-imidazolyl)benzene (tib) and 2-bromo-1,4-benzenedicarboxylic acid (H2BDC-Br), two novel zinc(II) coordination polymers [Zn2(tib)2(BDC-Br)]22SO417H2O (1) and [Zn4(tib)2(BDC-Br)3(H2O)4SO4]7.5H2O2.5DMF (2) (DMF = N,N-dimethylformamide) were obtained by using different solvent systems of DMF/H2O and DMF/EtOH/H2O, respectively. 1 is an unusual (3,4)-connected 3D net with a Point symbol of {4810(4)}{4810}, while 2 is a complicated 1D chain, which is further connected to form a 3D supramolecular architecture by hydrogen bonding interactions. In particular, 1 and 2 exhibit selective adsorption of CO2 over N2 and show good selectivity for detection of acetone via fluorescence quenching. PMID:26032187

  17. Self-assembly of Coordination Macroions -- the Effect of Small Polymer Chains

    NASA Astrophysics Data System (ADS)

    Li, Hui; Liu, Tianbo; Zhukhovitskiy, Alex; Johnson, Jeremiah

    In the presence of small simple counterions, macroions with modest charge density could self-assemble into one-layer hollow spherical structures. The driving force to form this vesicle-like structure is considered as counter-ion mediated attractions. On the other hand, overall hydrophilic transition metal-organic macrocations, consisting of hydrophobic ligands (pyridine-based) and hydrophilic palladium (Pd) metal ions, can be used as nanosized macrocations. One of the positively charged coordination macroions, Pd12L24 (Pd = Pd (II), L = (1,3-di(pyridin-4-yl)benzene), is famous for its controllable and precise assembly structure and possible functional sites. By functionalizing the organic ligand with polymer ethylene glycol (PEG), the macroions could possess larger size thus lower charge density. Detecting their self-assembled structures will tell the difference of their solution behavior as well as the discrepancy of macroion clusters. In summary, the small non-charged PEG chains have been observed to reduce the surface charge density, and furthermore, significantly change the solution behavior. National Science Foundation (CHE1305756).

  18. Self-assembled nanoscale coordination polymers with trigger release properties for effective anticancer therapy

    NASA Astrophysics Data System (ADS)

    Liu, Demin; Poon, Christopher; Lu, Kuangda; He, Chunbai; Lin, Wenbin

    2014-06-01

    Nanoscale coordination polymers (NCPs) are self-assembled from metal ions and organic bridging ligands, and can overcome many drawbacks of existing drug delivery systems by virtue of tunable compositions, sizes and shapes, high drug loadings, ease of surface modification and intrinsic biodegradability. Here we report the self-assembly of zinc bisphosphonate NCPs that carry 48±3 wt% cisplatin prodrug and 45±5 wt% oxaliplatin prodrug. In vivo pharmacokinetic studies in mice show minimal uptake of pegylated NCPs by the mononuclear phagocyte system and excellent blood circulation half-lives of 16.4±2.9 and 12.0±3.9 h for the NCPs carrying cisplatin and oxaliplatin, respectively. In all tumour xenograft models evaluated, including CT26 colon cancer, H460 lung cancer and AsPC-1 pancreatic cancer, pegylated NCPs show superior potency and efficacy compared with free drugs. As the first example of using NCPs as nanotherapeutics with enhanced antitumour activities, this study establishes NCPs as a promising drug delivery platform for cancer therapy.

  19. One-dimensional non-stationary convection model

    NASA Astrophysics Data System (ADS)

    Sadokov, V. P.; Vasilevsky, K. D.

    2012-04-01

    One-dimensional convection model is widely used in large-scale atmospheric models for the description of the convective clouds and calculating precipitation. Such models are stationary and can not describe the dynamics of the convection. There are widely used the non-stationary version of the one-dimensional models that are remaining within the framework of the simple versions. Evaluation of the convection processes in these models differs from the stationary version. If we consider the results of the stationary version as an initial condition for the non-stationary model, then in the process of solving the non-stationary task it will be the development of convection and establishing of the convective. In the present paper the equation processes for the vertical velocity are considered. That contains the time derivative. It is solved by the finite-difference scheme for a variety of levels k. The number of the levels k is determined by the spline approximation of the input data. As a result we have a quadratic equation for the vertical velocity w, taking into account the effects of entrainment, detrainment and release of condensation heat. If the vertical velocity in the calculation is positive, we assume the formation of the cloud elements. Based on the equations for the specific humidity q, water content δ and the statistical stability s, and introduce to them the time derivatives we obtain the equations system for the one-dimensional non-stationary cloud model, that take into account the processes occurring inside the cloud and in the surrounding area. Also here is presented an approach for the calculation of the precipitation. Many experiments using the model were performed to optimize the input parameters, empirical coefficients and calculated algorithm. The calculations showed that all model parameters are changing over time and finally the development process is stabilized. This is due to the surrounding state of the atmosphere that does not changed in these calculations. Value of the time steps for the integration in the cloud and the time steps of changing the environment parameters must be conformed: the period of convection is less than the step of change in the external environment. In our case we choose a step in non-stationary cloud model up to 10 seconds. The model is convenient to use because minimum of the input data is required: the geopotential, pressure, temperature and humidity. At the output the model can provide quick calculations and fairly realistic values of the vertical velocity, precipitation, and the various parameters of the clouds. The presented algorithm can be adapted to large-scale hydrodynamical models of the atmosphere.

  20. Electronic transport in one-dimensional mesoscopic systems

    NASA Astrophysics Data System (ADS)

    Quay Huei Li, Charis

    One-dimensional electron systems have been predicted to be fundamentally different from those in higher dimensions, particularly with respect to the way in which interactions are screened. While theoretical work on these systems dates back to the 1950s, it has only been since 1990 that the fabrication and investigation of truly one-dimensional systems on the nanometer scale have been made possible by advances in chemistry and molecular beam epitaxy. This dissertation reports transport measurements on three systems---carbon nanotubes, carbon nanotube peapods and 'cleaved edge overgrowth' GaAs hole wires - each of which enables the investigation of a different aspect of one-dimensional physics. The main part of this work focuses on peapod measurements, for which the main results are as follows. (1) We found, rather unexpectedly, that the periodically intercalated C_60 molecules do not significantly modify the nanotube's electonic structure near the Fermi level. (2) We were able to carefully study in these devices the evolution of the spin-1/2 Kondo effect in a magnetic field, on which there has been some theoretical controversy. We find that existing theories agree with the experimental data qualitatively but not in their details. (3) We observed an underscreened spin-1 Kondo effect. Performing the first tuning of the transition between singlet and triplet ground states independently with a gate voltage and magnetic field, we find that for the most part our data are explained by a simple model; however, some puzzles remain. Ballistic transport in the first CEO hole quantum wires in GaAs was also measured. Basic characterisation of these wires at finite bias and two different directions of magnetic field reveal an anisotropic g factor likely due to the combined effects of spin-orbit coupling and confinement. With magnetic field parallel to the wire we also observe what we believe to be direct evidence for a spin-orbit induced gap in the spectrum of the wire. The analysis of these data is ongoing. Finally, some measurements on nanotubes are presented.

  1. 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.

  2. 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.

  3. One dimensional simulations of transients in heavy ion injectors

    SciTech Connect

    Barnard, J.J.; Caporaso, G.J.; Yu, S.S.; Eylon, E.

    1993-05-11

    A fast-running time-dependent one-dimensional particle code has been developed to simulate transients in both electrostatic quadrupole and electrostatic column heavy-ion injectors. Two-dimensional effects are incorporated through the use of an approximation to the transverse part of the Laplacian operator. Longitudinal electric fields are solved on a mesh. An external circuit is coupled to the column, and the effect of the beam on the circuit is modeled. Transients such as initial current spikes, space-charge de-bunching, and beam loading of the circuit, are simulated. Future directions for the code include introduction of envelope and centroid equations to provide beam radius and displacement information and the modeling of secondary electron currents arising from beam-spill.

  4. 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

  5. One-dimensional photonic crystal fishbone hybrid nanocavity with nanoposts

    SciTech Connect

    Lu, Tsan-Wen; Lin, Pin-Tso; Lee, Po-Tsung

    2014-05-12

    We propose and investigate a one-dimensional photonic crystal (PhC) fishbone (FB) hybrid nanocavity lying on silver substrate with a horizontal air slot. With very few PhC periods, the confined transverse-magnetic, TM{sub 10} hybrid mode concentrated within the air slot shows high quality factor over effective mode volume ratio larger than 10{sup 5}λ{sup −3}. Most importantly, this FB hybrid nanocavity allows formation of low-index nanoposts within the air slot without significantly affecting the mode properties. These nanoposts guarantee the structural stabilities under different environmental perturbations. Furthermore, capabilities of our proposed design in serving as optical sensors and tweezers for bio-sized nanoparticles are also investigated.

  6. One-dimensional plasma photonic crystals with sinusoidal densities

    SciTech Connect

    Qi, L. Shang, L.; Zhang, S.

    2014-01-15

    Properties of electromagnetic waves with normal and oblique incidence have been studied for one-dimensional plasma layers with sinusoidal densities. Wave transmittance as a function of wave frequency exhibits photonic band gaps characteristic of photonic crystals. For periodic structures, increasing collision frequency is demonstrated to lead to greater absorption, increasing the modulation factor enlarges the gap width, and increasing incidence angle can change the gap locations of the two polarizations. If a defect layer is introduced by inserting a new plasma layer in the center, a defect mode may appear within the gap. Periodic number, collision frequency, and modulation factor can affect magnitude of the defect mode. The incidence angle enables the frequency to be tuned. Defect layer thickness affects both frequency and number of defect modes. These results may provide theoretical guidance in designing tunable narrow-band filters.

  7. 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.

  8. Bandgap characteristics of one-dimensional plasma photonic crystal

    SciTech Connect

    Yin Yan; Ma Yanyun; Tian Chenglin; Shao Fuqiu; Xu Han; Zhuo Hongbin; Yu, M. Y.

    2009-10-15

    When two pump laser pulses intersect in an underdense plasma, plasma Bragg grating (PBG) is induced by the slow-varying ponderomotive force [Z. M. Sheng et al., Appl. Phys. B: Lasers Opt. 77, 673 (2003)]. Such a PBG can be considered as a one-dimensional (1D) plasma photonic crystal (PPC). Here the bandgap characteristic of 1D PPC composed of plasma layers of different densities is investigated theoretically and numerically. It is found that when the maximum density is lower than the critical density of the pump laser, there is only one normal-incidence bandgap. When the maximum density is higher than the critical density of the pump laser, high-order bandgaps are found. The theoretical results are verified by 1D particle-in-cell simulations.

  9. Charge Order Fluctuations in one-dimensional silicides

    SciTech Connect

    Zeng, C.; Kent, Paul R; Kim, Tae Hwan; Li, An-Ping; Weitering, Harm H

    2008-06-15

    Metallic nanowires are of great interest as interconnects in future nanoelectronic circuits. They also represent important systems for understanding the complexity of electronic interactions and conductivity in one-dimension. We have fabricated exceptionally long and uniform YSi2 nanowires via self-assembly of yttrium atoms on Si(001). The thinnest wires represent one of the closest realizations of the isolated Peierls chain, exhibiting van-Hove type singularities in the one- dimensional density of states and charge order fluctuations below 150 K. The structure of the wire was determined though a detailed comparison of scanning tunneling microscopy data and first-principles calculations. Sporadic broadenings of the wires' cross section imply the existence of a novel metal-semiconductor junction whose electronic properties are governed by the finite- size- and temperature-scaling of the charge ordering correlation.

  10. Quantum quenches and thermalization in one-dimensional fermionic systems

    NASA Astrophysics Data System (ADS)

    Rigol, Marcos

    2009-11-01

    We study the dynamics and thermalization of strongly correlated fermions in finite one-dimensional lattices after a quantum quench. Our calculations are performed using exact diagonalization. We focus on one- and two-body observables such as the momentum distribution function [n(k)] and the density-density structure factor [N(k)] , respectively, and study the effects of approaching an integrable point. We show that while the relaxation dynamics and thermalization of N(k) for fermions is very similar to the one of hardcore bosons, the behavior of n(k) is distinctively different. The latter observable exhibits a slower relaxation dynamics in fermionic systems. We identify the origin of this behavior, which is related to the off-diagonal matrix elements of n(k) in the basis of the eigenstates of the Hamiltonian. More generally, we find that thermalization occurs far away from integrability and that it breaks down as one approaches the integrable point.

  11. 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.

  12. Switching synchronization in one-dimensional memristive networks.

    PubMed

    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. PMID:26651772

  13. Feedback-induced oscillations in one-dimensional colloidal transport.

    PubMed

    Lichtner, K; Pototsky, A; Klapp, S H L

    2012-11-01

    We investigate a driven, one-dimensional system of colloidal particles in a periodically corrugated narrow channel subject to a time-delayed feedback control. Our goal is to identify conditions under which the control induces oscillatory, time-periodic states. The investigations are based on the Fokker-Planck equation involving the density distribution of the system. First, by using the numerical continuation technique, we determine the linear stability of a stationary density. Second, the nonlinear regimes are analyzed by studying numerically the temporal evolution of the first moment of the density distribution. In this way we construct a bifurcation diagram revealing the nature of the instability. Apart from the case of a system with periodic boundary conditions, we also consider a microchannel of finite length. Finally, we study the influence of (repulsive) particle interactions based on dynamical density functional theory. PMID:23214782

  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. 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.

  16. High Rayleigh number convection in a one-dimensional model.

    PubMed

    Bhattacharyya, S N

    2015-09-01

    A model for one-dimensional convection is proposed by adding a buoyancy term to the Burgers' equation and including an equation for the temperature perturbation. A linear stability analysis shows onset of instability at a critical Rayleigh number. Computation in the unstable region shows steady convection with only one convection cell. Computations up to 10^{5} times the critical Rayleigh number do not show transition to an oscillatory state or to turbulence. Using a large Rayleigh number approximation, closed form solutions for the spectrum and the scaling for the heat transport due to nonlinear convection are obtained up to two orders. These are shown to be in good agreement with numerical results at high Rayleigh number. PMID:26465555

  17. One-Dimensional Transport of Bosons between Weakly Linked Reservoirs

    NASA Astrophysics Data System (ADS)

    Simpson, D. P.; Gangardt, D. M.; Lerner, I. V.; Krüger, P.

    2014-03-01

    We study a flow of ultracold bosonic atoms through a one-dimensional channel that connects two macroscopic three-dimensional reservoirs of Bose-condensed atoms via weak links implemented as potential barriers between each of the reservoirs and the channel. We consider reservoirs at equal chemical potentials so that a superflow of the quasicondensate through the channel is driven purely by a phase difference 2Φ imprinted between the reservoirs. We find that the superflow never has the standard Josephson form ˜sin2Φ. Instead, the superflow discontinuously flips direction at 2Φ=±π and has metastable branches. We show that these features are robust and not smeared by fluctuations or phase slips. We describe a possible experimental setup for observing these phenomena.

  18. 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)

  19. Unexpected photoluminescence properties from one-dimensional molecular chains

    NASA Astrophysics Data System (ADS)

    Yuan, Ye; Yao, Mingguang; Chen, Shuanglong; Liu, Shijie; Yang, Xigui; Zhang, Weiwei; Yao, Zhen; Liu, Ran; Liu, Bo; Liu, Bingbing

    2016-01-01

    Unlike bulk iodine, iodine molecular chains formed inside one dimensional (1D) nanochannels of AlPO4-5 (AFI) single crystals show unexpected PL behavior. Thanks to its unique 1D structure, the PL exhibits obvious polarization both in excitation and emission, by changing the angle between the c-axis of the channels and the polarization direction of the incident laser. As pressure increases, the PL intensity increases obviously due to the population increase of (I2)n chains upon compression. In contrast, the breaking of the (I2)n chain at high temperature leads to the decrease of PL intensity. Our theoretical calculation further points out that the PL may arise from the intrinsic band structure of (I2)n chains.

  20. Strongly interacting quantum gases in one-dimensional traps

    NASA Astrophysics Data System (ADS)

    Yang, Li; Guan, Liming; Pu, Han

    2015-04-01

    Under second-order degenerate perturbation theory, we show that the physics of N particles with arbitrary spin confined in a one-dimensional trap in the strongly interacting regime can be described by superexchange interaction. An effective spin-chain Hamiltonian (non-translationally-invariant Sutherland model) can be constructed from this procedure. For spin-1/2 particles, this model reduces to the non-translationally-invariant Heisenberg model, where a transition between Heisenberg antiferromagnetic (AFM) and ferromagnetic (FM) states is expected to occur when the interaction strength is tuned from the strongly repulsive to the strongly attractive limit. We show that the FM and the AFM states can be distinguished by two different methods: the first is based on their distinct responses to a spin-dependent magnetic gradient, and the second is based on their distinct momentum distributions. We confirm the validity of the spin-chain model by comparison with results obtained from several unbiased techniques.

  1. 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.

  2. 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.

  3. Size Dependent Heat Conduction in One-Dimensional Diatomic Lattices

    NASA Astrophysics Data System (ADS)

    Tejal, N. Shah; P. N., Gajjar

    2016-04-01

    We study the size dependency of heat conduction in one-dimensional diatomic FPU-β lattices and establish that for low dimensional material, contribution from optical phonons is found more effective to the thermal conductivity and enhance heat transport in the thermodynamic limit N → ∞. For the finite size, thermal conductivity of 1D diatomic lattice is found to be lower than 1D monoatomic chain of the same size made up of the constituent particle of the diatomic chain. For the present 1D diatomic chain, obtained value of power divergent exponent of thermal conductivity 0.428±0.001 and diffusion exponent 1.2723 lead to the conclusions that increase in the system size, increases the thermal conductivity and existence of anomalous energy diffusion. Existing numerical data supports our findings.

  4. Chaos in a one-dimensional compressible flow

    NASA Astrophysics Data System (ADS)

    Gerig, Austin; Hübler, Alfred

    2007-04-01

    We study the dynamics of a one-dimensional discrete flow with open boundaries—a series of moving point particles connected by ideal springs. These particles flow towards an inlet at constant velocity, pass into a region where they are free to move according to their nearest neighbor interactions, and then pass an outlet where they travel with a sinusoidally varying velocity. As the amplitude of the outlet oscillations is increased, we find that the resident time of particles in the chamber follows a bifurcating (Feigenbaum) route to chaos. This irregular dynamics may be related to the complex behavior of many particle discrete flows or is possibly a low-dimensional analogue of nonstationary flow in continuous systems.

  5. One-dimensional Electron Gases at Oxide Interfaces

    NASA Astrophysics Data System (ADS)

    Cao, Yanwei; Zhong, Zhicheng; Shafer, P.; Liu, Xiaoran; Kareev, M.; Middey, S.; Meyers, D.; Arenholz, E.; Chakhalian, Jak

    Emergence of two-dimensional electron gases (2DEG) at the oxide interfaces of two dissimilar insulators is a remarkable manifestation of interface engineering. With continuously reduced dimensionality, it arises an interesting question: could one-dimensional electron gases (1DEG) be designed at oxide interfaces? So far there is no report on this. Here, we report on the formation of 1DEG at the carefully engineered titanate heterostructures. Combined resonant soft X-ray linear dichroism with electrical transport and the first-principles calculations have confirmed the formation of 1DEG driven by the interfacial symmetry breaking. Our findings provide a route to engineer new electronic and magnetic states. This work was supported by Gordon and Betty Moore Foundation, DODARO, DOE, and the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy.

  6. 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.

  7. One-dimensional vertical dust strings in a glass box

    SciTech Connect

    Kong, Jie; Hyde, Truell W.; Matthews, Lorin; Qiao Ke; Zhang Zhuanhao; Douglass, Angela

    2011-07-15

    The oscillation spectrum of a one-dimensional vertical dust string formed inside a glass box on top of the lower electrode in a gaseous electronics conference (GEC) reference cell was studied. A mechanism for creating a single vertical dust string is described. It is shown that the oscillation amplitudes, resonance frequencies, damping coefficients, and oscillation phases of the dust particles separate into two distinct groups. One group exhibits low damping coefficients, increasing amplitudes, and decreasing resonance frequencies for dust particles closer to the lower electrode. The other group shows high damping coefficients but anomalous resonance frequencies and amplitudes. At low oscillation frequencies, the two groups are also separated by a {pi} phase difference. One possible cause for the difference in behavior between the two groups is discussed.

  8. Moving perturbation in a one-dimensional Fermi gas

    NASA Astrophysics Data System (ADS)

    Visuri, A.-M.; Kim, D.-H.; Kinnunen, J. J.; Massel, F.; Törmä, P.

    2014-11-01

    We simulate a balanced attractively interacting two-component Fermi gas in a one-dimensional lattice perturbed with a moving potential well or barrier. Using the time-evolving block decimation (TEBD) method, we study different velocities of the perturbation and distinguish two velocity regimes based on clear differences in the time evolution of particle densities and the pair correlation function. We show that, in the slow regime, the densities deform as particles are either attracted by the potential well or repelled by the barrier, and a wave front of hole or particle excitations propagates at the maximum group velocity. Simultaneously, the initial pair correlations are broken and coherence over different sites is lost. In contrast, in the fast regime, the densities are not considerably deformed and the pair correlations are preserved.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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 Haldanes 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.

  14. 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

  15. Absorbing/emitting phonons with one dimensional MOSFETs

    NASA Astrophysics Data System (ADS)

    Bosisio, Riccardo; Gorini, Cosimo; Fleury, Geneviève; Pichard, Jean-Louis

    2015-11-01

    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.

  16. Properties of surface modes in one dimensional plasma photonic crystals

    NASA Astrophysics Data System (ADS)

    Shukla, S.; Prasad, S.; Singh, V.

    2015-02-01

    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.

  17. One-dimensional photonic crystals as selective back reflectors

    NASA Astrophysics Data System (ADS)

    Gondek, Ewa; Karasiński, Paweł

    2013-06-01

    Using the sol-gel technology and dip-coating method involving the deposition of silica layers and titania layers, we have fabricated symmetrical structures with one-dimensional photonic crystals on both sides of glass substrates. For the structure with five bilayers (SiO2/TiO2) we have obtained the maximum reflectance of 0.967 for the wavelength λr=493 nm and full width at half maximum of the main reflectance peak of FWHM=185 nm. The fabricated structures have been analyzed theoretically with the application of the transfer matrix 2×2 method, allowing for complex refraction indexes for the component layers. The paper presents the applied theoretical model and the discussion involving the calculated and experimental results. Good agreement between the calculation and experimental results has been obtained. The elaborated photonic structures can be applied in solar light concentrators for photovoltaic systems.

  18. Mode engineering with a one-dimensional superconducting metamaterial

    NASA Astrophysics Data System (ADS)

    Taguchi, Masahiko; Basko, Denis M.; Hekking, Frank W. J.

    2015-07-01

    We propose a way to control the Josephson energy of a single Josephson junction embedded in a one-dimensional superconducting metamaterial: an inhomogeneous superconducting loop, made out of a superconducting nanowire or a chain of Josephson junctions. The Josephson energy is renormalized by the electromagnetic modes propagating along the loop. We study the behavior of the modes as well as of their frequency spectrum when the capacitance and the inductance along the loop are spatially modulated. We show that, depending on the amplitude of the modulation, the renormalized Josephson energy is either larger or smaller than the one found for a homogeneous loop. Using typical experimental parameters for Josephson junction chains and superconducting nanowires, we conclude that this mode engineering can be achieved with currently available metamaterials.

  19. Dissipationless kinetics of one-dimensional interacting fermions

    NASA Astrophysics Data System (ADS)

    Protopopov, I. V.; Gutman, D. B.; Oldenburg, M.; Mirlin, A. D.

    2014-04-01

    We study the problem of evolution of a density pulse of one-dimensional interacting fermions with a nonlinear single-particle spectrum. We show that, despite the non-Fermi-liquid nature of the problem, nonequilibrium phenomena can be described in terms of a kinetic equation for certain quasiparticles related to the original fermions by a nonlinear transformation which decouples the left- and right-moving excitations. Employing this approach, we investigate the kinetics of the phase-space distribution of the quasiparticles and thus determine the time evolution of the density pulse. This allows us to explore a crossover from the essentially free-fermion evolution for weak or short-range interaction to hydrodynamics emerging in the case of sufficiently strong, long-range interaction.

  20. 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.

  1. Practical variational tomography for critical one-dimensional systems

    NASA Astrophysics Data System (ADS)

    Lee, Jong Yeon; Landon-Cardinal, Olivier

    2015-06-01

    We improve upon a recently introduced efficient quantum state reconstruction procedure targeted to states well approximated by the multiscale entanglement renormalization ansatz (MERA), e.g., ground states of critical models. We show how to numerically select a subset of experimentally accessible measurements which maximize information extraction about renormalized particles, thus dramatically reducing the required number of physical measurements. We numerically estimate the number of measurements required to characterize the ground state of the critical one-dimensional Ising (resp. XX) model and find that MERA tomography on 16-qubit (resp. 24-qubit) systems requires the same experimental effort as brute-force tomography on 8 qubits. We derive a bound computable from experimental data which certifies the distance between the experimental and reconstructed states.

  2. 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.

  3. 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).

  4. 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"

  5. 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.

  6. 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

  7. A One-Dimensional Synthetic-Aperture Microwave Radiometer

    NASA Technical Reports Server (NTRS)

    Doiron, Terence; Piepmeier, Jeffrey

    2010-01-01

    A proposed one-dimensional synthetic- aperture microwave radiometer could serve as an alternative to either the two-dimensional synthetic-aperture radiometer described in the immediately preceding article or to a prior one-dimensional one, denoted the Electrically Scanned Thinned Array Radiometer (ESTAR), mentioned in that article. The proposed radiometer would operate in a pushbroom imaging mode, utilizing (1) interferometric cross-track scanning to obtain cross-track resolution and (2) the focusing property of a reflector for along-track resolution. The most novel aspect of the proposed system would be the antenna (see figure), which would include a cylindrical reflector of offset parabolic cross section. The reflector could be made of a lightweight, flexible material amenable to stowage and deployment. Other than a stowage/deployment mechanism, the antenna would not include moving parts, and cross-track scanning would not entail mechanical rotation of the antenna. During operation, the focal line, parallel to the cylindrical axis, would be oriented in the cross-track direction, so that placement of receiving/radiating elements at the focal line would afford the desired along-track resolution. The elements would be microwave feed horns sparsely arrayed along the focal line. The feed horns would be oriented with their short and long cross-sectional dimensions parallel and perpendicular, respectively, to the cylindrical axis to obtain fan-shaped beams having their broad and narrow cross-sectional dimensions parallel and perpendicular, respectively, to the cylindrical axis. The interference among the beams would be controlled in the same manner as in the ESTAR to obtain along-cylindrical- axis (cross-track) resolution and cross-track scanning.

  8. Synthesis, crystal structure, and properties of a double-helical zinc(II) coordination polymer with Ozagrel drug

    NASA Astrophysics Data System (ADS)

    Yang, Wei-Chun; Zheng, Zhe-Bo; Sun, Hao-Ling; Wang, Ke-Zhi

    2012-02-01

    By the reaction of Zn(OAc) 2·2H 2O with Ozagrel, ( E)-3-(4-((1 H-imidazol-1-yl)methyl)phenyl)acrylic acid (Himpaa), a novel coordination polymer [Zn(impaa) 2] n(1) was synthesized and was characterized by IR, elemental analysis, single-crystal X-ray diffraction analysis, photoluminescence spectroscopy, and thermogravimetric and differential thermal analysis. The four-coordinate Zn(II) ions are linked into 1D double-helical chain by the deprotonated impaa -, which is extended into a 3D supramolecular structure through intermolecular C-H⋯O hydrogen bonds.

  9. Honeycomb-shaped coordination polymers based on the self-assembly of long flexible ligands and alkaline-earth ions

    NASA Astrophysics Data System (ADS)

    Lian, Chen; Liu, Liu; Guo, Xu; Long, Yinshuang; Jia, Shanshan; Li, Huanhuan; Yang, Lirong

    2016-01-01

    Two novel coordination polymers, namely, [Ca(NCP)2]∞ (I) and [Sr(NCP)2]∞ (II) were synthesized under hydrothermal conditions based on 2-(4-carboxyphenyl)imidazo(4,5-f)-(1,10)phenanthroline (HNCP) and characterized by elemental analysis, infrared spectrometry, X-ray powder diffraction and single crystal X-ray diffraction. Findings indicate that I and II are isomorphous and isostructural, containing the unit of M(NCP-)4 (M=Ca(II) and Sr(II)), based on which to assemble into three-dimensional (3D) porous 4-fold interpenetration honeycomb-shaped neutral coordination polymers (CPs). Between the adjacent lamellar structures in I and II, there exist π-π interactions between the pyridine rings belonging to phenanthroline of NCP- which stabilize the frameworks. Both I and II display stronger fluorescence emissions as well as high thermal stability.

  10. Solvothermal preparation, X-ray structural characterization and properties of two novel 3D copper(I) halide/ N-allyl imidazole coordination polymers

    NASA Astrophysics Data System (ADS)

    Song, Yu-Mei; Pang, Jie; Qian, Kun; Wang, Xi-Sen; Li, Xiao-Nian; Xiong, Ren-Gen

    2006-08-01

    The solvothermal reactions of N-allyl imidazole with Cu IX (X=Cl, Br) afford two unprecedented 3D copper(I)-olefin coordination polymer Cu 2X 2( N-allyl imidazole) (X=Cl for 1; Br for 2). This is the first 3D copper(I)-olefin coordination polymer synthesized in directed method, compared to most of olefin-Cu(I) coordination polymers prepared by electrochemical method. Of practical interest is that both of them contain 1D zigzag ladder chain composed of basic Cu 2X 2 dimer unit. Photoluminescent measurements show that 1 displays blue fluorescent emission while 2 has red fluorescent emission at room temperature.

  11. Anion-controlled assembly of silver-di(aminophenyl)sulfone coordination polymers: Syntheses, crystal structures, and solid state luminescence

    SciTech Connect

    Zhang, Qi-Long; Hu, Peng; Zhao, Yi; Feng, Guang-Wei; Zhang, Yun-Qian; Zhu, Bi-Xue; Tao, Zhu

    2014-02-15

    Five silver coordination polymers, namely, ([Ag(3,3′-daps){sub 2}]·BF{sub 4}){sub n} (1), ([Ag(3,3′-daps){sub 2}]·NO{sub 3}){sub n} (2), [Ag(3,3′-daps)(CF{sub 3}SO{sub 3})]{sub n} (3), ([Ag(4,4′-daps)]·CF{sub 3}SO{sub 3}){sub n} (4), and ([Ag(4,4′-daps)]·ClO{sub 4}){sub n} (5) (3,3′-daps=di(3′-aminodiphenyl)sulfone, and 4,4′-daps=di(4′-aminodiphenyl)sulfone) have been synthesized and structural characterized by elemental analyses, IR spectra, powder X-ray diffraction (PXRD) and single-crystal X-ray diffraction analyses. Complex 1 displays a 1D ladder-like chain with four-connected Ag ions and bridged 3,3′-daps. Complex 2 shows other 1D ladder chain modified by tentacles. Complex 3 is a 2D layer structure with both Ag ions and 3,3′-daps are 3-connected nodes. Complex 4 is another 1D ladder chain with three-connected Ag ions and 4,4′-daps. Complex 5 shows a 2D 4{sup 4}-sql net with Ag ions and 4,4′-daps as 4-connected nodes. Moreover, their solid state luminescence and thermal stabilities also have been investigated. - Graphical abstract: Pictogram: Synthetic procedures of the five anion controlled silver coordination polymers. We reported the synthetic procedures, structure, and luminescence property of the five anion controlled silver coordination polymers based on two novel di(aminophenyl)sulfone V-shaped ligands. Display Omitted - Highlights: • Five new silver coordination polymers were synthesized and characterized. • Two novel designed V-shaped di(aminophenyl)sulfone ligands were first introduced to coordination chemistry. • Anions play important roles in determining the five silver coordination polymers. • The structural diversity and photoluminescence property were also discussed.

  12. Cu{sup II} coordination polymers based on 5-methoxyisophthalate and flexible N-donor ligands: Structures and magnetic properties

    SciTech Connect

    Chang, Xin-Hong; Qin, Jian-Hua; Ma, Lu-Fang; Wang, Li-Ya

    2014-04-01

    Three Cu{sup II} coordination polymers, ([Cu{sub 2}(CH{sub 3}O-ip){sub 2}(bmib)]){sub n} (1), ([Cu{sub 2}(CH{sub 3}O-ip){sub 2}(bmib){sub 2}]){sub n} (2) and ([Cu(CH{sub 3}O-ip)(bbip)]∙2H{sub 2}O){sub n} (3) (CH{sub 3}O-H{sub 2}ip is 5-methoxyisophthalic acid, bmib is 1,4-bis(2-methylimidazol-1-yl)butane and bbip is 1,3-bis(1H-benzimidazolyl)propane), have been synthesized by hydrothermal methods. Complexes 1–3 were structurally characterized by elemental analysis, infrared (IR) spectra and X-ray single-crystal diffraction. Complex 1 shows a 3D six-connected self-penetrating network based on paddlewheel secondary building units. Complex 2 has a 3-fold interpenetrating 3D diamond framework. Complex 3 possesses a 1D tube-like chain. Thermo-gravimetric and magnetic properties of 1–3 were also investigated. - Graphical abstract: Structures and magnetic properties of copper(II) coordination polymers constructed from 5-methoxyisophthalate linker and two flexible N-donor ancillary ligands. Three copper(II) coordination polymers with 5-methoxyisophthalate and two related flexible N-donor ancillary ligands have been synthesized and structurally characterized. Moreover, thermal behaviors and magnetic properties of these complexes have also been investigated. - Highlights: • Three Cu(II) coordination polymers were synthesized. • The conformations of N-donor ligands and pH value have an effect on the final structures. • The magnetic properties of 1–3 have been investigated.

  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 less computation time than required by the tridiagonal method. The performance of the adaptive grid method tends to degrade as the solution process proceeds in time, but still remains faster than the tridiagonal scheme.

  14. Unsteady features on one-dimensional hydrogen-air detonations

    NASA Astrophysics Data System (ADS)

    Daimon, Yu; Matsuo, Akiko

    2007-11-01

    The features of one-dimensional unsteady detonations are studied numerically using a hydrogen-air detailed chemical reaction model. A series of simulations are carried out while degree of overdrive, initial pressure, initial temperature, and equivalence ratio are varied. The oscillation modes and mechanisms of the one-dimensional detonations are discussed with reference to shock pressure histories and x-t diagrams of density distributions. As the degree of overdrive is reduced with a stoichiometric mixture of hydrogen-air at P0=0.421atm and T0=293K, a steady state appears, along with a high-frequency mode and a low-frequency mode. The oscillation mechanism of the high-frequency mode is the same as that of the regular regime of unsteady shock-induced combustion observed around a spherical projectile flying at hypersonic velocity in detonable gases. The degree of overdrive threshold between the steady and unsteady region increases monotonically with initial pressure and decreases monotonically with initial temperature. When the equivalence ratio is changed, the threshold has a minimum value around ϕ =1. We focus attention on a nondimensional effective activation energy, which is generally used for linear stability analysis. The oscillation mode depends highly on the nondimensional effective activation energy. The oscillation of the detonation front appears as the nondimensional effective activation energy goes past a threshold value of 5.2. Furthermore, we investigate the failed regime and possible reignition in this regime. In the failed regime, a detonation wave breaks up into a leading shock, a contact discontinuity, and a rarefaction wave. When the shock is weak, reignition time becomes very long. Therefore, the reignition after the failed regime is difficult to reproduce in the restricted computational domain. The reignition process in the failed regime is investigated by means of analysis consisting of integration along the point of intersection between a Rayleigh line for weak leading shock and a partially burnt Hugoniot curve. The reignition time increases dramatically with decreasing temperature behind the shock wave, when the gas condition goes past the second explosion limit. The second explosion limit is one of the characteristics of the hydrogen-air detailed chemical reaction model and does not exist in the one-step chemical reaction model. Lastly, the reignition time obtained by the analysis is compared with that obtained by the simulation results. The simulation results agree well with the analytical results.

  15. Synthesis and structure of solution-stable one-dimensional palladium wires.

    PubMed

    Campbell, Michael G; Powers, David C; Raynaud, Jean; Graham, Michael J; Xie, Ping; Lee, Eunsung; Ritter, Tobias

    2011-12-01

    One-dimensional metal wires are valuable materials because of their optical and electronic anisotropy, and they have potential utility in devices such as photovoltaic cells and molecular sensors. However, despite more than a century of research, only a few examples exist of well-defined one-dimensional (1D) metal wires that allow for the rational variation of conductivity. Herein we describe the first examples of 1D molecular wires supported by Pd-Pd bonds, the thin-film conductive properties of which can be altered by controlled molecular changes. Wires based on Pd(III) give semiconducting films with a modifiable bandgap, whereas wires based on Pd(2.5) give films that display metallic conductivity above 200 K: a metallic state has not been reported previously for any polymer composed of 1D metal wires. The wires are infinite in the solid state and maintain 1D structures in solution with lengths of up to 750 nm. Solution stability enables thin film coating, a requisite for device fabrication using molecular wires. PMID:22109275

  16. Coordination polymer submicrospheres: fast microwave synthesis and their conversion under different atmospheres.

    PubMed

    Zhong, Shengliang; Jing, Hongyu; Li, Yuan; Yin, Shungao; Zeng, Chenghui; Wang, Lei

    2014-08-18

    Rare earth (RE) based coordination polymer (CP) submicrospheres have been prepared from pyridine-2,5-dicarboxylic acid and RE(NO3)3 via a facile microwave heating method in 5 min, with N,N-dimethylformamide (DMF) as solvent. The submicrospheres have diameters of 100-400 nm. Furthermore, the surface of the microspheres is smooth and the microspheres are solid. Several CP submicrospheres (RE = La, Gd, Y) were selected and calcined under different atmospheres (including air, N2, and NH3). After calcination in air at 550 °C for 4 h, rare earth oxide (RE2O3) submicrospheres were obtained. On calcination under an N2 atmosphere, LaN/La2O3/C composite spheres were obtained for La-based CPs. For Gd(Y)-based CPs, Gd2O3(Y2O3)/C composite spheres were obtained. Porous carbon submicrospheres were obtained after the removal of RE2O3 and REN from the composite spheres. Interestingly, under an NH3 atmosphere, La2O2CN2 submicrospheres were produced from the La-based CPs. In addition, the Gd-based and Y-based CPs submicrospheres gave Gd2O3/GdN/C and Y2O3/C submicrospheres, respectively. As examples of their potential applications, their upconversion properties and electrochemical properties of the as-prepared products were investigated. This facile microwave synthesis method may offer an attractive approach for the preparation of other RE-CP micro-/nanostructures, and many interesting materials may be derived. PMID:25083590

  17. Synthesis of nanostructured materials by using metal-cyanide coordination polymers and their lithium storage properties.

    PubMed

    Nie, Ping; Shen, Laifa; Luo, Haifeng; Li, Hongsen; Xu, Guiyin; Zhang, Xiaogang

    2013-11-21

    Herein, we demonstrate a novel and simple two-step process for preparing LiCoO2 nanocrystals by using a Prussian blue analogue Co3[Co(CN)6]2 as a precursor. The resultant LiCoO2 nanoparticles possess single crystalline nature and good uniformity with an average size of ca. 360 nm. The unique nanostructure of LiCoO2 provides relatively shorter Li(+) diffusion pathways, thus facilitating the fast kinetics of electrochemical reactions. As a consequence, high reversible capacity, excellent cycling stability and rate capability are achieved with these nanocrystals as cathodes for lithium storage. The LiCoO2 nanocrystals deliver specific capacities of 154.5, 135.8, 119, and 100.3 mA h g(-1) at 0.2, 0.4, 1, and 2 C rates, respectively. Even at a high current density of 4 C, a reversible capacity of 87 mA h g(-1) could be maintained. Importantly, a capacity retention of 83.4% after 100 cycles is achieved at a constant discharge rate of 1 C. Furthermore, owing to facile control of the morphology and size of Prussian blue analogues by varying process parameters, as well as the tailored design of multi-component metal-cyanide hybrid coordination polymers, with which we have successfully prepared porous Fe2O3@NixCo3-xO4 nanocubes, one of the potential anode materials for lithium-ion batteries, such a simple and scalable approach could also be applied to the synthesis of other nanomaterials for energy storage devices. PMID:24071706

  18. The role of IAEA in coordinating research and transferring technology in radiation chemistry and processing of polymers

    NASA Astrophysics Data System (ADS)

    Haji-Saeid, M.; Sampa, M. H.; Ramamoorthy, N.; Güven, O.; Chmielewski, A. G.

    2007-12-01

    The IAEA has been playing a significant role in fostering developments in radiation technology in general and radiation processing of polymers in particular, among its Member States (MS) and facilitate know-how/technology transfer to developing MS. The former is usually achieved through coordinated research projects (CRP) and thematic technical meetings, while the latter is mainly accomplished through technical cooperation (TC) projects. Coordinated research projects encourage research on, and development and practical application of, radiation technology to foster exchange of scientific and technical information. The technical cooperation (TC) programme helps Member States to realize their development priorities through the application of appropriate radiation technology. The IAEA has implemented several coordinated research projects (CRP) recently, including one on-going project, in the field of radiation processing of polymeric materials. The CRPs facilitated the acquisition and dissemination of know-how and technology for controlling of degradation effects in radiation processing of polymers, radiation synthesis of stimuli-responsive membranes, hydrogels and absorbents for separation purposes and the use of radiation processing to prepare biomaterials for applications in medicine. The IAEA extends cooperation to well-known international conferences dealing with radiation technology to facilitate participation of talented scientists from developing MS and building collaborations. The IAEA published technical documents, covering the findings of thematic technical meetings (TM) and coordinated research projects have been an important source of valuable practical information.

  19. 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.

  20. 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.

  1. Automated quantification of one-dimensional nanostructure alignment on surfaces.

    PubMed

    Dong, Jianjin; Goldthorpe, Irene A; Abukhdeir, Nasser Mohieddin

    2016-06-10

    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. PMID:27119552

  2. Relaxation of a one-dimensional gravitational system.

    PubMed

    Valageas, P

    2006-07-01

    We study the relaxation towards thermodynamical equilibrium of a one-dimensional gravitational system. This model shows a series of critical energies E(cn) where different equilibria appear and we focus on the homogeneous (n=0), one-peak (n = +/-1), and two-peak (n=2) states. Using numerical simulations we investigate the relaxation to the stable equilibrium n = +/-1 of this N-body system starting from initial conditions defined by equilibria n=0 and n=2. We find that in a fashion similar to other long-range systems the relaxation involves a fast violent relaxation phase followed by a slow collisional phase as the system goes through a series of quasistationary states. Moreover, in cases where this slow second stage leads to a dynamically unstable configuration (two peaks with a high mass ratio) it is followed by a different sequence, "violent relaxation-slow collisional relaxation." We obtain an analytical estimate of the relaxation time t(2--> +/- 1)through the mean escape time of a particle from its potential well in a bistable system. We find that the diffusion and dissipation coefficients satisfy Einstein's relation and that the relaxation time scales as Ne(1/T) at low temperature, in agreement with numerical simulations. PMID:16907203

  3. Fractal geometry in an expanding, one-dimensional, Newtonian universe

    NASA Astrophysics Data System (ADS)

    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 μ (position, velocity) space. The observed patterns are simply a shadow (projection) of higher-dimensional structure.

  4. One-dimensional surface phonon polaritons in boron nitride nanotubes.

    PubMed

    Xu, Xiaoji G; Ghamsari, Behnood G; Jiang, Jian-Hua; Gilburd, Leonid; Andreev, Gregory O; Zhi, Chunyi; Bando, Yoshio; Golberg, Dmitri; Berini, Pierre; Walker, Gilbert C

    2014-01-01

    Surface polaritons, which are electromagnetic waves coupled to material charge oscillations, have enabled applications in concentrating, guiding and harvesting optical energy below the diffraction limit. Surface plasmon polaritons involve oscillations of electrons and are accessible in noble metals at visible and near-infrared wavelengths, whereas surface phonon polaritons (SPhPs) rely on phonon resonances in polar materials, and are active in the mid-infrared. Noble metal surface plasmon polaritons have limited applications in the mid-infrared. SPhPs at flat interfaces normally possess long polariton wavelengths and provide modest field confinement/enhancement. Here we demonstrate propagating SPhPs in a one-dimensional material consisting of a boron nitride nanotube at mid-infrared wavelengths. The observed SPhP exhibits high field confinement and enhancement, and a very high effective index (neff~70). We show that the modal and propagation length characteristics of the SPhPs may be controlled through the nanotube size and the supporting substrates, enabling mid-infrared applications. PMID:25154586

  5. One-dimensional surface phonon polaritons in boron nitride nanotubes

    NASA Astrophysics Data System (ADS)

    Xu, Xiaoji G.; Ghamsari, Behnood G.; Jiang, Jian-Hua; Gilburd, Leonid; Andreev, Gregory O.; Zhi, Chunyi; Bando, Yoshio; Golberg, Dmitri; Berini, Pierre; Walker, Gilbert C.

    2014-08-01

    Surface polaritons, which are electromagnetic waves coupled to material charge oscillations, have enabled applications in concentrating, guiding and harvesting optical energy below the diffraction limit. Surface plasmon polaritons involve oscillations of electrons and are accessible in noble metals at visible and near-infrared wavelengths, whereas surface phonon polaritons (SPhPs) rely on phonon resonances in polar materials, and are active in the mid-infrared. Noble metal surface plasmon polaritons have limited applications in the mid-infrared. SPhPs at flat interfaces normally possess long polariton wavelengths and provide modest field confinement/enhancement. Here we demonstrate propagating SPhPs in a one-dimensional material consisting of a boron nitride nanotube at mid-infrared wavelengths. The observed SPhP exhibits high field confinement and enhancement, and a very high effective index (neff~70). We show that the modal and propagation length characteristics of the SPhPs may be controlled through the nanotube size and the supporting substrates, enabling mid-infrared applications.

  6. Directed assembly of one-dimensional functional nanostructures

    NASA Astrophysics Data System (ADS)

    Penzo, Erika; Palma, Matteo; Wang, Risheng; Wind, Shalom J.

    2013-03-01

    One-dimensional (1D) nanostructures have unique electronic, optical and mechanical properties that have attracted intense interest over the past two decades. Single wall carbon nanotubes (SWNTs) and semiconducting nanorods have long been recognized as potential candidates for future nanoelectronic applications. The small size and the fact that these nanostructures are synthesized either at high temperatures or in solution make it difficult to organize them in complex architectures, a key requirement for their exploitation. As a step toward this goal, we are developing approaches leading to the controlled and ordered arrangement of nanoobjects on lithographically patterned, chemically (or biochemically) functionalized surfaces. One approach consists in patterning metallic nanodots that serve as anchors by selective functionalization with single stranded DNA (ssDNA) or with other chemical moieties. End functionalized nanostructures are attached to the dots through DNA hybridization or through a covalent bond. A second approach consists in patterning hydrophilic regions on hydrophobic substrates. Ion-complexed nanostuctures selectively bind to the hydrophilic pattern.

  7. Carbyne with finite length: The one-dimensional sp carbon.

    PubMed

    Pan, Bitao; Xiao, Jun; Li, Jiling; Liu, Pu; Wang, Chengxin; Yang, Guowei

    2015-10-01

    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

  8. 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).

  9. One-dimensional nanoprobes for single-cell studies.

    PubMed

    Gao, Yang; Longenbach, Travis; Vitol, Elina A; Orynbayeva, Zulfiya; Friedman, Gary; Gogotsi, Yury

    2014-01-01

    Owing to variation of individual cells within a population, single-cell studies are of great interest to researchers. Recent developments in nanofabrication technology have made this area increasingly attractive as one-dimensional (1D) nanoscale probes can be manufactured with increasing accuracy. Here, we provide an overview and description of the major designs that have been reported to date. For more details of what applications could be realized and how, based on the probe shapes and designs, we summarize the most recently reported performances of 1D single-cell probes with their advantages and limitations. Minimally invasive probes are required for long-term experiments on single cells. Carbon nanotubes with their unique properties and structure are excellent candidates for multitask robotic intracellular probes. Carbon nanotube-tipped cellular endoscopes are less invasive compared with pipettes or cantilever tips. Advances in nanofabrication techniques have made it possible to produce more consistent nanoscale cellular probes that can capture a variety of information from optical, electrical and chemical signals. In addition, these tools can transfer tiny amounts of fluids and molecular materials in a highly localized fashion for the purpose of analyzing or stimulating a variety of responses at the level of individual cells and even cellular organelles. We conclude with a critical analysis of the current state of the field as well as the major obstacles for further probe development of minimally invasive probes and their widespread use in cell biology. PMID:24354816

  10. Electrical transport in doped one-dimensional nanostructures.

    PubMed

    Li, Tan; Wang, Jianning; Zhang, Yumin

    2005-09-01

    Mobility and noise are two important issues for electronic devices, and they have many new features in one-dimensional (1D) doped nanostructures. For the convenience of readers the background of solid state physics is reviewed first, and then the transport process in 3D crystal material is introduced. Velocity saturation is an important phenomenon in modern electronic devices, and it is analyzed in an intuitive approach. It is predicted FinFET will be the next generation MOSFET, and its structure and characteristics are introduced. With the reduction of device dimensions the mesoscopic phenomena begin to show up. A simple way to treat transport problem in this domain is the Landauer-Büttiker formula, and the basic equation is derived. Finally the 1D quantum wire structure grown from a bottom-up approach is reviewed. Owing to the good material quality the scattering is very weak, and the wave properties of the coherent transport are discussed. Engineering applications of nanostructures in electronic information processing that manipulates time varying signals often involve device characterizations in the time domain. Since carrier transport in nanostructures is inherently a random process and it causes random fluctuations in quantities like current and voltage, so background knowledge in the microscopic origins of noise and other related practical issues is important to identify enough noise margins for reliable system design. This subject is the focus of the second part of the review article. PMID:16193956

  11. Critical behavior of a one-dimensional diffusive epidemic process

    SciTech Connect

    Fulco, U. L.; Messias, D. N.; Lyra, M. L.

    2001-06-01

    We investigate the critical behavior of a one-dimensional diffusive epidemic propagation process by means of a Monte Carlo procedure. In the model, healthy (A) and sick (B) individuals diffuse on a lattice with diffusion constants D{sub A} and D{sub B}, respectively. According to a Wilson renormalization calculation, the system presents a second-order phase transition between a steady reactive state and a vacuum state, with distinct universality classes for the cases D{sub A}=D{sub B} and D{sub A}{lt}D{sub B}. A first-order transition has been conjectured for D{sub A}{gt}D{sub B}. In this work we perform a finite size scaling analysis of order parameter data at the vicinity of the critical point in dimension d=1. Our results show no signature of a first-order transition in the case of D{sub A}{gt}D{sub B}. A finite size scaling typical of second-order phase transitions fits well the data from all three regimes. We found that the correlation exponent {nu}=2 as predicted by field-theoretical arguments. Estimates for {beta}/{nu} are given for all relevant regimes.

  12. 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

  13. Transmission properties of one-dimensional ternary plasma photonic crystals

    NASA Astrophysics Data System (ADS)

    Shiveshwari, Laxmi; Awasthi, S. K.

    2015-09-01

    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.

  14. 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.

  15. Negative Refraction Angular Characterization in One-Dimensional Photonic Crystals

    PubMed Central

    Lugo, Jesus Eduardo; Doti, Rafael; Faubert, Jocelyn

    2011-01-01

    Background 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 experimentally characterize negative refraction in a one dimensional photonic crystal structure; near the low frequency edge of the fourth photonic bandgap. We compare the experimental results with current theory and a theory based on the group velocity developed here. We also analytically derived the negative refraction correctness condition that gives the angular region where negative refraction occurs. Methodology/Principal Findings By using standard photonic techniques we experimentally determined the relationship between incidence and negative refraction angles and found the negative refraction range by applying the correctness condition. In order to compare both theories with experimental results an output refraction correction was 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 theories in the negative refraction zone. Conclusions/Significance Since both theories and the experimental observations agreed well in the negative refraction region, we can use both negative refraction theories plus the output correction to predict negative refraction angles. This can be very useful from a practical point of view for space filtering applications such as a photonic demultiplexer or for sensing applications. PMID:21494332

  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. 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

  18. Evolution of a One-dimensional, Two Component, Universe

    NASA Astrophysics Data System (ADS)

    Shiozawa, Yui; Miller, Bruce; Rouet, Jean-Louis

    2015-03-01

    While the universe we observe today exhibits local filament-like structures, with stellar clusters and large voids between them, the primordial universe is believed to have been nearly homogeneous with slight variations in matter density. To understand how the observed hierarchical structure was formed, researchers have developed a one-dimensional analogue of the universe that can simulate the evolution of a large number of matter particles. Investigations to date demonstrate that this model reveals structure formation that shares essential features with the three-dimensional observations. In the present work, we have expanded on this concept to include two species of matter, specifically dark matter and luminous matter. In our simulation, luminous matter is treated in a way that loses energy in interaction with itself. The results of the simulations clearly show the formation of a Cantor set like multifractal pattern over time in configuration space as well as in phase space. In contrast with most earlier studies, mass-oriented methods for computing the multifractal dimensions were performed on various subsets of the matter distribution in order to understand the bottom-up structure formation.

  19. Fractal analysis in a one-dimensional universe

    NASA Astrophysics Data System (ADS)

    Shiozawa, Yui

    2014-09-01

    While the universe we observe today exhibits local filament-like structures, with stellar clusters and large voids between them, the primordial universe is believed to have been nearly homogeneous with slight variations in matter density. To understand how the observed hierarchical structure was formed, researchers have developed a one-dimensional analogue of the universe that can simulate the evolution of a large number of matter particles. Investigations to date demonstrate that this model reveals structure formation that shares essential features with the three-dimensional observations. In the present work, we have expanded on this concept to include two species of matter, specifically dark matter and luminous matter. In our simulation, luminous matter is treated in a way that loses energy in interaction. The results of the simulations clearly show the formation of a Cantor set like multifractal pattern over time. In contrast with most earlier studies, mass-oriented methods for computing multifractal dimensions were applied to analyze the bottom-up structure formation.

  20. 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.

  1. Is there hope for spintronics in one dimensional realistic systems?

    NASA Astrophysics Data System (ADS)

    Rocha, Alexandre; Martins, Thiago; Fazzio, Adalberto; da Silva, Antônio J. R.

    2010-03-01

    The use of the electron spin as the ultimate logic bit can lead to a novel way of thinking about information flow. At the same time graphene, a gapless semiconductor, has been the subject of intense research due to its fundamental properties and its potential application in electronics. Defects are usually seen as having deleterious effects on the spin polarization of devices and thus they would tend to hinder the applicability of spintronics in realistic devices. Here we use a ab initio methods to simulate the electronic transport properties of graphene nanoribbons up to 450 nm long containing a large number of randomly distributed impurities. We will demonstrate that it is possible to obtain perfect spin selectivity in these nanoribbons which can be explained in terms of different localization lengths for each spin channel. This together with the well know exponential dependence of the conductance on the length of the device leads to a new mechanism for the spin filtering effect that is in fact driven by disorder. Furthermore, we demonstrate that this is an effect that does not depend on the underlying system itself and could be observed in carbon nanotubes and nanowires or any other one-dimensional device.

  2. Reaction, trapping, and multifractality in one-dimensional systems

    SciTech Connect

    Broeck, C. Van den )

    1991-12-01

    The first part of this paper presents two variants of the A + A {yields} A and A + A {yields} P reaction in one dimension that can be investigated analytically. In the first model, pairs of neighboring particles disappear reactively at a rate which is independent of their relative distance. It is shown that the probability density {var phi}(x) for a nearest neighbor distance equal to x approaches the scaling form {var phi}(x) {approximately} c exp({minus} cx/2)/(cs){sup 1/2} in the long-time limit, with c being the concentration of particles. The second model is a ballistic analogue of the coagulation reaction A + A {yields} A. The model is solved by reducing it to a first-passage-time problem. The anomalous relaxation dynamics can be linked in a direct way to the fractal time properties of random walks. The second part of this paper discusses the complications that arise in systems with disorder. A new approach is presented that relates first-passage-time characteristics in a one-dimensional random walk to properties of random maps. In particular, it is shown that Sinai disorder is a borderline case for the appearance of multifractal properties. Finally, a previously introduced renormalization technique is applied to calculate the survival probability of particles moving on the line in the presence of a background of imperfect traps.

  3. Energy transport in one-dimensional disordered granular solids

    NASA Astrophysics Data System (ADS)

    Achilleos, V.; Theocharis, G.; Skokos, Ch.

    2016-02-01

    We investigate the energy transport in one-dimensional disordered granular solids by extensive numerical simulations. In particular, we consider the case of a polydisperse granular chain composed of spherical beads of the same material and with radii taken from a random distribution. We start by examining the linear case, in which it is known that the energy transport strongly depends on the type of initial conditions. Thus, we consider two sets of initial conditions: an initial displacement and an initial momentum excitation of a single bead. After establishing the regime of sufficiently strong disorder, we focus our study on the role of nonlinearity for both sets of initial conditions. By increasing the initial excitation amplitudes we are able to identify three distinct dynamical regimes with different energy transport properties: a near linear, a weakly nonlinear, and a highly nonlinear regime. Although energy spreading is found to be increasing for higher nonlinearities, in the weakly nonlinear regime no clear asymptotic behavior of the spreading is found. In this regime, we additionally find that energy, initially trapped in a localized region, can be eventually detrapped and this has a direct influence on the fluctuations of the energy spreading. We also demonstrate that in the highly nonlinear regime, the differences in energy transport between the two sets of initial conditions vanish. Actually, in this regime the energy is almost ballistically transported through shocklike excitations.

  4. 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. PMID:25787253

  5. Approximate approaches to the one-dimensional finite potential well

    NASA Astrophysics Data System (ADS)

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

    2011-11-01

    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 (mi) is taken to be distinct from mass outside (mo). A relevant parameter is the mass discontinuity ratio β = mi/mo. To correctly account for the mass discontinuity, we apply the BenDaniel-Duke boundary condition. We obtain approximate solutions for two cases: when the well is shallow and when the well is deep. We compare the approximate results with the exact results and find that higher-order approximations are quite robust. For the shallow case, the approximate solution can be expressed in terms of a dimensionless parameter σl = 2moV0L2/planck2 (or σ = β2σl for the deep case). We show that the lowest-order results are related by a duality transform. We also discuss how the energy upscales with L (E~1/Lγ) and obtain the exponent γ. Exponent γ → 2 when the well is sufficiently deep and β → 1. The ratio of the masses dictates the physics. Our presentation is pedagogical and should be useful to students on a first course on elementary quantum mechanics or low-dimensional semiconductors.

  6. Solitary Wave in One-dimensional Buckyball System at Nanoscale

    NASA Astrophysics Data System (ADS)

    Xu, Jun; Zheng, Bowen; Liu, Yilun

    2016-02-01

    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.

  7. 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.

  8. 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.

  9. 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

  10. 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.

  11. A Smart Colorful Supercapacitor with One Dimensional Photonic Crystals

    NASA Astrophysics Data System (ADS)

    Liu, Cihui; Liu, Xing; Xuan, Hongyun; Ren, Jiaoyu; Ge, Liqin

    2015-12-01

    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.

  12. 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.

  13. Traveling waves in a one-dimensional model of hemodynamics

    NASA Astrophysics Data System (ADS)

    Barlukova, A. M.; Cherevko, A. A.; Chupakhin, A. P.

    2014-11-01

    We consider a one-dimensional model of hemodynamics—blood flow in the blood vessels—which is based on the Navier-Stokes equations averaged over the cross section of the vessel, and conjugate with a linear or nonlinear model for the elastic wall of the vessel. The objective is to study traveling wave solutions using this model. For such solutions, the system of partial differential equations reduces to an ordinary differential equation of the fourth order. The only singular point of the corresponding system of differential equations is found. It is established that at the singular point, the linearization matrix of the system has real or complex roots for different values of the parameters of the problem. With a special choice of the parameters, it has four complex conjugate roots with a nonzero real part or purely imaginary roots. For this case, the effect of the model parameter corresponding to the viscoelastic response of the vessel wall on the solution is investigated. Numerical experiments are performed to verify and analyze the results, and various modes of blood movement are discussed.

  14. Solitary Wave in One-dimensional Buckyball System at Nanoscale.

    PubMed

    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

  15. Charge transport through one-dimensional Moiré crystals.

    PubMed

    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. One-dimensional flows of an imperfect diatomic gas

    NASA Technical Reports Server (NTRS)

    1959-01-01

    With the assumptions that Berthelot's equation of state accounts for molecular size and intermolecular force effects, and that changes in the vibrational heat capacities are given by a Planck term, expressions are developed for analyzing one-dimensional flows of a diatomic gas. The special cases of flow through normal and oblique shocks in free air at sea level are investigated. It is found that up to a Mach number 10 pressure ratio across a normal shock differs by less than 6 percent from its ideal gas value; whereas at Mach numbers above 4 the temperature rise is considerable below and hence the density rise is well above that predicted assuming ideal gas behavior. It is further shown that only the caloric imperfection in air has an appreciable effect on the pressures developed in the shock process considered. The effects of gaseous imperfections on oblique shock-flows are studied from the standpoint of their influence on the life and pressure drag of a flat plate operating at Mach numbers of 10 and 20. The influence is found to be small. (author)

  17. Nonlinear energy transport in one-dimensional lattices

    NASA Astrophysics Data System (ADS)

    Vuppuluri, P.; Hamilton, M.; de Alcantara Bonfim, O. F.

    2007-03-01

    We present a simple lattice model consisting of a one-dimensional chain, where the masses are interconnected by linear springs and allowed to move in the horizontal direction only, as in a monorail. In the transverse direction each mass is also attached to two other springs, one on each side of the mass. The ends of these springs are kept at fixed positions. The nonlinearity in the model arises from the geometric constraints imposed on the motion of the masses, as well as from the configuration of the springs. In the transverse directions the springs are either in the extended or compressed state depending on the position of the mass. Under these conditions we show that solitary waves are present in the system. In the long wavelength limit an analytical solution for these nonlinear waves is found. Numeric integrations of the equations of motion in the full system are also performed to analyze the conditions for the existence and stability of the nonlinear waves. Nonlinear supratransmission is examined and shown to exist in the model and an explanation of its mechanism is presented.

  18. Geometrically induced nonlinear dynamics in one-dimensional lattices

    NASA Astrophysics Data System (ADS)

    Hamilton, Merle D.; de Alcantara Bonfim, O. F.

    2006-03-01

    We present a lattice model consisting of a single one-dimensional chain, where the masses are interconnected by linear springs and allowed to move in a horizontal direction only, as in a monorail. In the transverse direction each mass is also attached to two other linear springs, one on each side of the mass. The ends of these springs are kept at fixed positions. The nonlinearity in the model arises from the geometric constraints imposed on the motion of the masses, as well as from the configuration of the springs, where in the transverse direction the springs are either in the extended or compressed state depending on the position of the masses. Under these conditions we show that solitary waves are present in the system. In the long wavelength limit an analytic solution for these nonlinear waves is found. Numerical integrations of the equations of motion in the full system are also performed to analyze the conditions for the existence and stability of the nonlinear waves.

  19. Excited states of quasi-one-dimensional hexagonal quantum antiferromagnets

    NASA Astrophysics Data System (ADS)

    Merdan, M.; Xian, Y.

    2013-05-01

    We investigate the excited states of the quasi-one-dimensional quantum antiferromagnets on hexagonal lattices, including the longitudinal modes based on the magnon-density waves. A model Hamiltonian with a uniaxial single-ion anisotropy is first studied by a spin wave theory based on the one-boson method; the ground state thus obtained is employed for the study of the longitudinal modes. The full energy spectra of both the transverse modes (i.e., magnons) and the longitudinal modes are obtained as functions of the nearest-neighbor coupling and the anisotropy constants. We have found two longitudinal modes due to the noncollinear nature of the triangular antiferromagnetic order, similar to that of the phenomenological field theory approach by Affleck. The excitation energy gaps due to the anisotropy and the energy gaps of the longitudinal modes without anisotropy are then investigated. We then compare our results for the longitudinal energy gaps at the magnetic wave vectors with the experimental results for several antiferromagnetic compounds with both integer and noninteger spin quantum numbers, and we find good agreement after the higher-order contributions are included in our calculations.

  20. 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.

  1. 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.

  2. One-dimensional quantum liquids: Beyond the Luttinger liquid paradigm

    NASA Astrophysics Data System (ADS)

    Imambekov, Adilet; Schmidt, Thomas L.; Glazman, Leonid I.

    2012-07-01

    For many years, the Luttinger liquid theory has served as a useful paradigm for the description of one-dimensional (1D) quantum fluids in the limit of low energies. This theory is based on a linearization of the dispersion relation of the particles constituting the fluid. Recent progress in understanding 1D quantum fluids beyond the low-energy limit is reviewed, where the nonlinearity of the dispersion relation becomes essential. The novel methods which have been developed to tackle such systems combine phenomenology built on the ideas of the Fermi-edge singularity and the Fermi-liquid theory, perturbation theory in the interaction strength, and new ways of treating finite-size properties of integrable models. These methods can be applied to a wide variety of 1D fluids, from 1D spin liquids to electrons in quantum wires to cold atoms confined by 1D traps. Existing results for various dynamic correlation functions are reviewed, in particular, the dynamic structure factor and the spectral function. Moreover, it is shown how a dispersion nonlinearity leads to finite particle lifetimes and its impact on the transport properties of 1D systems at finite temperatures is discussed. The conventional Luttinger liquid theory is a special limit of the new theory, and the relation between the two is explained.

  3. Analytic Bjorken flow in one-dimensional relativistic magnetohydrodynamics

    NASA Astrophysics Data System (ADS)

    Roy, Victor; Pu, Shi; Rezzolla, Luciano; Rischke, Dirk

    2015-11-01

    In the initial stage of relativistic heavy-ion collisions, strong magnetic fields appear due to the large velocity of the colliding charges. The evolution of these fields appears as a novel and intriguing feature in the fluid-dynamical description of heavy-ion collisions. In this work, we study analytically the one-dimensional, longitudinally boost-invariant motion of an ideal fluid in the presence of a transverse magnetic field. Interestingly, we find that, in the limit of ideal magnetohydrodynamics, i.e., for infinite conductivity, and irrespective of the strength of the initial magnetization, the decay of the fluid energy density e with proper time τ is the same as for the time-honoured "Bjorken flow" without magnetic field. Furthermore, when the magnetic field is assumed to decay ∼τ-a, where a is an arbitrary number, two classes of analytic solutions can be found depending on whether a is larger or smaller than one. In summary, the analytic solutions presented here highlight that the Bjorken flow is far more general than formerly thought. These solutions can serve both to gain insight on the dynamics of heavy-ion collisions in the presence of strong magnetic fields and as testbeds for numerical codes.

  4. 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 Schrdinger 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.

  5. 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

  6. 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

  7. 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 (?cp), 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

  8. 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

  9. 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.

  10. 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.

  11. The response of polyether ether ketone to one-dimensional shock loading

    NASA Astrophysics Data System (ADS)

    Millett, J. C. F.; Bourne, N. K.; Gray, G. T., III

    2004-03-01

    The behaviour of the polymer polyether ether ketone (PEEK) has been investigated under conditions of one-dimensional shock loading. This has involved measurement of the Hugoniot in terms of stress, shock velocity and particle velocity, and measurements of the lateral stress, which have been used to determine the shear strength, and its variation with shock stress. Analysis of the relationship between shock velocity and particle velocity shows a simple linear response, in common with many other materials. Shear strength has also been shown to increase with shock stress, with a break in slope at ca 1.0 GPa. Below this stress, the material appears to behave in a simple elastic manner, which suggests a Hugoniot elastic limit of 1 GPa. Shear strength has also been observed to increase significantly behind the shock front both above and below 1 GPa. This behaviour has been observed in other polymeric materials, where it was suggested that these materials were responding by a viscoplastic mechanism.

  12. Fabrication of spinel one-dimensional architectures by single-spinneret electrospinning for energy storage applications.

    PubMed

    Peng, Shengjie; Li, Linlin; Hu, Yuxiang; Srinivasan, Madhavi; Cheng, Fangyi; Chen, Jun; Ramakrishna, Seeram

    2015-02-24

    A facile and general method is developed to fabricate one-dimensional (1D) spinel composite oxides with complex architectures by using a facile single-spinneret electrospinning technique. It is found that precursor polymers and heating rates could control the structures of the products, such as 1D solid, nanotube and tube-in-tubes structures. Especially, the tube-in-tube structures have been successfully fabricated for various mixed metal oxide, including CoMn2O4, NiCo2O4, CoFe2O4, NiMn2O4 and ZnMn2O4. Benefiting from the unique structure features, the tube-in-tube hollow nanostructures possess superior electrochemical performances in asymmetric supercapacitors and Li-O2 batteries. PMID:25602640

  13. Enumeration of one-dimensional crystal structures obtained from a minimum of diffraction intensities.

    PubMed

    Al-Asadi, Ahmed; Chudin, Eugene; Tsodikov, Oleg V

    2012-05-01

    A central problem in crystallography is crystal structure determination directly from diffraction intensities. For structures of small molecules, this problem has been addressed by probabilistic direct methods that allow one to obtain the structure coordinates with a high degree of certainty given a sufficiently large set of intensities. In contrast, deterministic algebraic methods that could guarantee a solution and may be applicable to macromolecules have not yet emerged. In this study a basic algebraic question is posed: how many crystal structures can be obtained from a given set of intensities? Recently, by using a new origin definition and the method of elementary symmetrical polynomials, all small (N ≤ 4 atoms) one-dimensional crystal structures that could be obtained from the minimum set of N - 1 lowest-resolution intensities were enumerated. Here, by using methods of modern algebraic geometry the maximum number of one-dimensional crystal structures that can be determined from the minimum set of intensities for N > 4 is obtained. It is demonstrated that this ambiguity increases exponentially with the increasing number of atoms in the structure N (~4(N)/N(3/2) for N > 1) and includes non-homometric structures. Therefore, a minimum set of intensities, even in principle, is insufficient for structure determination for all but very small structures. PMID:22514062

  14. Coordination Polymer Flexibility Leads to Polymorphism and Enables a Crystalline Solid–Vapour Reaction: A Multi-technique Mechanistic Study

    PubMed Central

    Vitórica-Yrezábal, Iñigo J; Libri, Stefano; Loader, Jason R; Mínguez Espallargas, Guillermo; Hippler, Michael; Fletcher, Ashleigh J; Thompson, Stephen P; Warren, John E; Musumeci, Daniele; Ward, Michael D; Brammer, Lee

    2015-01-01

    Despite an absence of conventional porosity, the 1D coordination polymer [Ag4(O2C(CF2)2CF3)4(TMP)3] (1; TMP=tetramethylpyrazine) can absorb small alcohols from the vapour phase, which insert into Ag–O bonds to yield coordination polymers [Ag4(O2C(CF2)2CF3)4(TMP)3(ROH)2] (1-ROH; R=Me, Et, iPr). The reactions are reversible single-crystal-to-single-crystal transformations. Vapour-solid equilibria have been examined by gas-phase IR spectroscopy (K=5.68(9)×10−5 (MeOH), 9.5(3)×10−6 (EtOH), 6.14(5)×10−5 (iPrOH) at 295 K, 1 bar). Thermal analyses (TGA, DSC) have enabled quantitative comparison of two-step reactions 1-ROH→1→2, in which 2 is the 2D coordination polymer [Ag4(O2C(CF2)2CF3)4(TMP)2] formed by loss of TMP ligands exclusively from singly-bridging sites. Four polymorphic forms of 1 (1-ALT, 1-AHT, 1-BLT and 1-BHT; HT=high temperature, LT=low temperature) have been identified crystallographically. In situ powder X-ray diffraction (PXRD) studies of the 1-ROH→1→2 transformations indicate the role of the HT polymorphs in these reactions. The structural relationship between polymorphs, involving changes in conformation of perfluoroalkyl chains and a change in orientation of entire polymers (A versus B forms), suggests a mechanism for the observed reactions and a pathway for guest transport within the fluorous layers. Consistent with this pathway, optical microscopy and AFM studies on single crystals of 1-MeOH/1-AHT show that cracks parallel to the layers of interdigitated perfluoroalkyl chains develop during the MeOH release/uptake process. PMID:25962844

  15. Control of water molecule aggregations in copper 1,4-cyclohexanedicarboxylate coordination polymers containing pyridyl-piperazine type ligands

    NASA Astrophysics Data System (ADS)

    Qiblawi, Sultan H.; LaDuca, Robert L.

    2014-01-01

    A series of layered divalent copper coordination polymers containing 1,4-cyclohexanedicarboxylate and long-spanning pyridyl-piperazine type ligands exhibits greatly different co-crystallized water molecule aggregations depending on the specific ligands used. Both [Cu(t-14cdc)(4-bpmp)]n (1, t-14cdc = trans-1,4-cyclohexanedicarboxylate, 4-bpmp = bis(4-pyridylmethyl)piperazine) and {[Cu(t-14cdc)(4-bpfp)(H2O)2]·6H2O}n (2, 4-bpfp = bis(4-pyridylformyl)piperazine) possess 2D (4,4) coordination polymer grids. However 1 lacks any co-crystallized water and has pinched grid apertures, while 2 manifests infinite water tapes with T6(2)4(2) classification and rectangular grid apertures. {[Cu2(c-14cdc)2(4-bpmp)]·2H2O}n (3, c-14cdc = cis-1,4-cyclohexanedicarboxylate) has [Cu2(c-14cdc)]2 ribbons with paddlewheel dimeric units linked into 2D slabs by 4-bpmp tethers, along with isolated water molecule pairs. In contrast, {[Cu2(c-14cdc)2(4-bpfp)]·10H2O}n (4) shows a very similar underlying coordination polymer topology but entrains unique decameric water molecule clusters. The minor product {[Cu2(c-14cdcH)2(t-1,4-cdc)(4-bpfp)2(H2O)2]·2H2O}n (5) was isolated along with 4; this compound underwent some in situ cis to trans cyclohexane-dicarboxylate ligand isomerization and exhibits a ladder polymer motif.

  16. Tunneling dynamics of two interacting one-dimensional particles

    NASA Astrophysics Data System (ADS)

    Gharashi, Seyed Ebrahim; Blume, D.

    2015-09-01

    We present one-dimensional simulation results for the cold-atom tunneling experiments by the Heidelberg group [Zürn et al., Phys. Rev. Lett. 108, 075303 (2012), 10.1103/PhysRevLett.108.075303; Zürn et al., Phys. Rev. Lett. 111, 175302 (2013), 10.1103/PhysRevLett.111.175302] on one or two 6Li atoms confined by a potential that consists of an approximately harmonic optical trap plus a linear magnetic-field gradient. At the noninteracting particle level, we find that the Wentzel-Kramers-Brillouin approximation may not be used as a reliable tool to extract the trapping potential parameters from the experimentally measured tunneling data. We use our numerical calculations along with the experimental tunneling rates for the noninteracting system to reparametrize the trapping potential. The reparametrized trapping potentials serve as input for our simulations of two interacting particles. For two interacting (distinguishable) atoms on the upper branch, we reproduce the experimentally measured tunneling rates, which vary over several orders of magnitude, fairly well. For infinitely strong interaction strength, we compare the time dynamics with that of two identical fermions and discuss the implications of fermionization on the dynamics. For two attractively interacting atoms on the molecular branch, we find that single-particle tunneling dominates for weakly attractive interactions, while pair tunneling dominates for strongly attractive interactions. Our first set of calculations yields qualitative but not quantitative agreement with the experimentally measured tunneling rates. We obtain quantitative agreement with the experimentally measured tunneling rates if we allow for a weakened radial confinement.

  17. One dimensional blood flow in a planetocentric orbit

    NASA Astrophysics Data System (ADS)

    Haranas, Ioannis; Gkigkitzis, Ioannis

    2012-05-01

    All life on earth is accustomed to the presence of gravity. When gravity is altered, biological processes can go awry. It is of great importance to ensure safety during a spaceflight. Long term exposure to microgravity can trigger detrimental physiological responses in the human body. Fluid redistribution coupled with fluid loss is one of the effects. In particular, in microgravity blood volume is shifted towards the thorax and head. Sympathetic nervous system-induced vasoconstriction is needed to maintain arterial pressure, while venoconstriction limits venous pooling of blood prevents further reductions in venous return of blood to the heart. In this paper, we modify an existing one dimensional blood flow model with the inclusion of the hydrostatic pressure gradient that further depends on the gravitational field modified by the oblateness and rotation of the Earth. We find that the velocity of the blood flow VB is inversely proportional to the blood specific volume d, also proportional to the oblateness harmonic coefficient J2, the angular velocity of the Earth ωE, and finally proportional to an arbitrary constant c. For c = -0.39073 and ξH = -0.5 mmHg, all orbits result to less blood flow velocities than that calculated on the surface of the Earth. From all considered orbits, elliptical polar orbit of eccentricity e = 0.2 exhibit the largest flow velocity VB = 1.031 m/s, followed by the orbits of inclination i = 45°and 0°. The Earth's oblateness and its rotation contribute a 0.7% difference to the blood flow velocity.

  18. Synthesis and application of one-dimensional nanomaterials

    NASA Astrophysics Data System (ADS)

    Zhang, Daihua

    My research has been focused on the synthesis, characterization and application of three types of one-dimensional (1D) nanostructures, including metal oxide nanowires, transition metal oxide core-shell nanocables, and carbon nanotubes. They represent a new class of materials that have attracted steadily growing interest due to their peculiar properties and unique applications complementary to bulk materials. This dissertation will summarize my studies on these three 1D nanomaterials, as well as propose future research work that may lead to further development of this field. Following a brief introduction to 1D nanomaterials in Chapter 1, Chapter 2 will focus on the first material - metal oxide nanowires. The discussion starts from the synthesis approach and material characterization of metal oxide nanowires, and then shifts to the electron transport properties and potential applications. A series of functional devices based on In2O 3 and SnO2 nanowires will be demonstrated and evaluated, which range from field effect transistors (FETs), nonvolatile memories, to photo-detecting devices and chemical sensors. Chapter 3 will discuss the fabrication of transition metal oxide (TMO) core-shell nanocables and their electron transport properties as a function of temperature and external magnetic field. The discussion will primarily focus on one of the TMO materials---magnetite (Fe3O 4) core-shell nanowires and nanotubes. Chapter 4 focuses on the application of carbon nanotubes (CNTs) in macroelectronics and explores the feasibility of using CNT films as transparent electrodes for organic light emitting diodes (OLEDs). Chapter 5, in the end, summarizes the above discussions and proposes future research directions in 1D nanomaterials.

  19. Spatial modes in one-dimensional models for capillary jets

    NASA Astrophysics Data System (ADS)

    Guerrero, J.; González, H.; García, F. J.

    2016-03-01

    One-dimensional (1D) models are widely employed to simplify the analysis of axisymmetric capillary jets. These models postulate that, for slender deformations of the free surface, the radial profile of the axial velocity can be approximated as uniform (viscous slice, averaged, and Cosserat models) or parabolic (parabolic model). In classical works on spatial stability analysis with 1D models, considerable misinterpretation was generated about the modes yielded by each model. The already existing physical analysis of three-dimensional (3D) axisymmetric spatial modes enables us to relate these 1D spatial modes to the exact 3D counterparts. To do so, we address the surface stimulation problem, which can be treated as linear, by considering the effect of normal and tangential stresses to perturb the jet. A Green's function for a spatially local stimulation having a harmonic time dependence provides the general formalism to describe any time-periodic stimulation. The Green's function of this signaling problem is known to be a superposition of the spatial modes, but in fact these modes are of fundamental nature, i.e., not restricted to the surface stimulation problem. The smallness of the wave number associated with each mode is the criterion to validate or invalidate the 1D approaches. The proposed axial-velocity profiles (planar or parabolic) also have a remarkable influence on the outcomes of each 1D model. We also compare with the classical 3D results for (i) conditions for absolute instability, and (ii) the amplitude of the unstable mode resulting from both normal and tangential surface stress stimulation. Incidentally, as a previous task, we need to re-deduce 1D models in order to include eventual stresses of various possible origins (electrohydrodynamic, thermocapillary, etc.) applied on the free surface, which were not considered in the previous general formulations.

  20. Crystal structure of a new homochiral one-dimensional zincophosphate containing l-me-thio-nine.

    PubMed

    Chouat, Nadjet; Hasnaoui, Mohammed Abdelkrim; Sassi, Mohamed; Bengueddach, Abdelkader; Lusvardi, Gigliola; Cornia, Andrea

    2015-07-01

    catena-Poly[[(l-me-thio-nine-κO)zinc]-μ3-(hydrogen phosphato)-κ(3) O:O':O''], [Zn{PO3(OH)}(C5H11NO2S)] n , a new one-dimensional homochiral zincophos-phate, was hydro-thermally synthesized using l-me-thio-nine as a structure-directing agent. The compound consists of a network of ZnO4 and (HO)PO3 tetra-hedra that form ladder-like chains of edge-fused Zn2P2O4 rings propagating parallel to [100]. The chains are decorated on each side by zwitterionic l-me-thio-nine ligands, which inter-act with the inorganic framework via Zn-O coordination bonds. The structure displays inter-chain N-H⋯O and O-H⋯S hydrogen bonds. PMID:26279879