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Monte Carlo Simulation of Long Chain Polymer Melts: Crossover from Rouse to Reptation Dynamics

T. Kreer、J. Baschnagel、Marcus Müller 等 4 位作者2001-01-20Macromolecules

We present data from Monte Carlo simulations for monodisperse linear polymer chains in dense melts with degrees of polymerization between N = 16 and N = 512. The aim of this study is to investigate the crossover from Rouse-like dynamics for short chains to reptation-like dynamics for long chains. To address this probl…

Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesRheology and Fluid Dynamics Studies

Synthesis and Characterization of Nanosized ZnS Confined in Ordered Mesoporous Silica

Wen‐Hua Zhang、Jianlin Shi、Hangrong Chen 等 5 位作者2001-01-20Chemistry of Materials

Nanosized ZnS has been prepared inside MCM-41 hosts by two related schemes, both of which are derived from surface modification methods. The ZnS-containing MCM-41 samples with and without the functional groups (ethylenediamine groups in this case) were designated as ZnS−ED−MCM-41 and ZnS−MCM-41(cal), respectively. The…

Advanced Photocatalysis TechniquesMesoporous Materials and CatalysisLayered Double Hydroxides Synthesis and Applications

Monte Carlo Study of Phonon Transport in Solid Thin Films Including Dispersion and Polarization

Sandip Mazumder、Arun Majumdar2001-01-20OpenAlex

The Boltzmann Transport Equation (BTE) for phonons best describes the heat flow in solid nonmetallic thin films. The BTE, in its most general form, however, is difficult to solve analytically or even numerically using deterministic approaches. Past research has enabled its solution by neglecting important effects such…

Advancements in Semiconductor Devices and Circuit DesignThermal properties of materialsThermal Radiation and Cooling Technologies

X-Ray Photoelectron Spectroscopy of Porphycenes: Charge Asymmetry Across Low-Barrier Hydrogen Bonds

Abhik Ghosh、J. F. Moulder、Martin Bröring 等 4 位作者2001-01-19Angewandte Chemie

Es ist ironisch, dass die Röntgen-Photoelektronenspektroskopie zum empfindlichen Nachweis für starke Wasserstoffbrückenbindungen (low-barrier hydrogen bonds) in Tetrapyrrolen dienen kann, obwohl mit ihr normalerweise alle Elemente außer Wasserstoff nachweisbar sind. Die Stickstoff-1s-Peaks (siehe Diagramm) fallen nie…

Molecular Sensors and Ion DetectionPorphyrin and Phthalocyanine ChemistryPhotochemistry and Electron Transfer Studies

Polyol-Mediated Preparation of Nanoscale Oxide Particles

Claus Feldmann、Hans-Otto Jungk2001-01-19Angewandte Chemie International Edition

Largely monodisperse, crystalline nanoscale oxide particles (for example, Cu2O, TiO2, Nb2O5) are preparatively accessible with the polyol method (see picture). The colloidal suspensions of the particles thus obtained can be employed readily for the homogeneous coating of various substrates (for example, glass plates,…

Catalytic Processes in Materials ScienceMesoporous Materials and CatalysisCatalysis and Oxidation Reactions

Ion Exchange of NH4−Ferrierite with Co2+: ESCA Study

Ivan Jirka2001-01-19The Journal of Physical Chemistry B

The structural effects induced by ion exchange of NH 4 + by Co 2+ cations in the series of ferrierites were investigated by electron spectroscopy for chemical analysis (ESCA). The utility of the Auger parameter α‘of framework Al for the estimation of the extent of ion exchange of NH 4 + by Co 2+ cations is demonstrate…

X-ray Spectroscopy and Fluorescence AnalysisElectron and X-Ray Spectroscopy TechniquesX-ray Diffraction in Crystallography

Cyano-Bridged 4f-3d Coordination Polymers with a Unique Two-Dimensional Topological Architecture and Unusual Magnetic Behavior

Bao‐Qing Ma、Song Gao、Gang Su 等 4 位作者2001-01-19Angewandte Chemie

24-gliedrige Ringe bauen die zweidimensionale Struktur der neuartigen Verbindungen [NdM(bpym)(H2O)4(CN)6]⋅3 H2O (M=Fe (1), Co (2); bpym=2,2′-Bipyrimidin) auf. Dies sind die ersten zweidimensionalen cyanoverbrückten Verbindungen mit Lanthanoid- und Übergangsmetallzentren (siehe Bild). Außer ihren Strukturen wurden auch…

Metal-Organic Frameworks: Synthesis and ApplicationsMetal complexes synthesis and propertiesMagnetism in coordination complexes

X-Ray Photoelectron Spectroscopy of Porphycenes: Charge Asymmetry Across Low-Barrier Hydrogen Bonds

Abhik Ghosh、J. F. Moulder、Martin Bröring 等 4 位作者2001-01-19Angewandte Chemie International Edition

It is ironic that although it is typically a technique that "sees" all elements other than hydrogen atoms, X-ray photoelectron spectroscopy (XPS) acts as a sensitive probe of low-barrier hydrogen bonds, as seen in a study of free-base tetrapyrroles. The nitrogen 1s XPS peaks never quite coalesce, even when the N⋅⋅⋅H⋅⋅…

Molecular Sensors and Ion DetectionPorphyrin and Phthalocyanine ChemistrySurface Chemistry and Catalysis

Low-temperature lattice excitation of icosahedral Al-Mn-Pd quasicrystals

Cuilian Li、Youyan Liu2001-01-19Physical review. B, Condensed matter

We suggest a theoretical method for dealing with the contribution of phasons to the lattice vibration of quasicrystals. Based on this, we derive the density of vibrational states (DOVS) and specific-heat expressions of the icosahedral Al-Mn-Pd quasicrystal, and obtain corresponding numerical solutions which are in agr…

Quasicrystal Structures and PropertiesX-ray Diffraction in CrystallographyMineralogy and Gemology Studies

Reactivity of Calix-Tetrapyrrole SmII and SmIII Complexes with Acetylene: Isolation of an “N-Confused” Calix-Tetrapyrrole Ring

Tiffany Dubé、Jingwen Guan、Sandro Gambarotta 等 4 位作者2001-01-19Chemistry - A European Journal

The nature of the substituents present on the calix-tetrapyrrole tetra-anion ligand [[R2C(C4H2N)]4]4- (R = [-(CH2)5-]0.5, Et) determines the type of reactivity of the corresponding SmII compounds with acetylene. With R = [-(CH2)5-]0.5, dehydrogenation occurred to yield the nearly colorless dinuclear diacetylide comple…

Magnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation Mechanisms

Photopolymerization of Liquid Carbon Disulfide Produces Nanoscale Polythiene Films

Peter Zmolek、Honglae Sohn、P. Gantzel 等 4 位作者2001-01-19Journal of the American Chemical Society

Broad band solar or 300--400 nm irradiation (Hg--Xe arc source) of liquid-phase carbon disulfide produces a new carbon--sulfur polymer with the approximate (n = 1.04--1.05) stoichiometry (CS(n))(x). The polymer, from here on called (CS)(x), forms as a approximately 200 nm thick transparent golden membrane as measured…

Diamond and Carbon-based Materials ResearchOrganic Light-Emitting Diodes ResearchOrganic and Molecular Conductors Research

[cyclo-CH2{Sn(Cl2)CH2Si(Me2)}2O]: Synthesis and Complexation Behaviour of a Novel, Cyclic, Bidentate Lewis Acid and Its Conversion into a Tin-Containing Fluorosilane with Intermolecular Si−F⋅⋅⋅Sn Bridges

Marcus Schulte、Markus Schürmann、Klaus Jurkschat2001-01-19Chemistry - A European Journal

Acid-catalysed hydrolysis of [CH2[(Sn(Ph2)CH2Si(OiPr)Me2]2] followed by subsequent reaction with mercuric chloride in acetone afforded the novel silicon- and tin-containing eight-membered ring [cyclo-CH2[Sn(Cl2)CH2Si(Me2)]2O] in good yield, the crystal structure of which is reported. 119Sn NMR and X-ray studies indica…

Synthesis and characterization of novel inorganic/organometallic compoundsSilicone and Siloxane ChemistryOrganometallic Compounds Synthesis and Characterization

Gold Complexes with Dithiothiophene Ligands: A Metal Based on a Neutral Molecule

Dulce Belo、H. Alves、Elsa B. Lopes 等 10 位作者2001-01-19Chemistry - A European Journal

The gold complexes n-Bu4N[Au(α-tpdt)2] (5), n-Bu4N[Au(dtpdt)2] (4) and n-Bu4N[Au(tpdt)2] (6) based on new dithiothiophene ligands (α-tpdt=2,3-thiophenedithiolate, dtpdt=2,3-dihydro-5,6-thiophenedithiolate and tpdt=3,4-thiophenedithiolate) have been prepared and characterised. These gold(III) complexes are diamagnetic,…

Metal complexes synthesis and propertiesMagnetism in coordination complexesOrganic and Molecular Conductors Research

Frequency dependent response of a Thue-Morse aperiodic lattice

Samar Chattopadhyay、Anathnath Ghosh、Arunava Chakrabarti2001-01-19Physical review. B, Condensed matter

We present an exact calculation for the dynamic structure factor of a Thue-Morse aperiodic lattice using a real space renormalization-group (RSRG) method proposed by S. N. Karmakar, A. Chakrabarti, and R. K. Moitra [Phys. Rev. B 46, 3660 (1992)]. However, the ordering inherent in a Thue-Morse sequence prohibits a dire…

Advanced Chemical Physics StudiesQuasicrystal Structures and PropertiesX-ray Diffraction in Crystallography

<title>Chalcogenide glasses and fibers for applications in medicine</title>

Dimitrij Ležal、J. Zavadil、L Horák 等 5 位作者2001-01-19Proceedings of SPIE, the International Society for Optical Engineering/Proceedings of SPIE

Chalcogenide glasses based on suplhides and selenides are very promising materials for various photonic applications, particularly for applications in medicine. Most of current optical fibers have been developed form ultrapure silica. While silica glasses are suitable for optical components in telecommunications they…

Glass properties and applicationsPhase-change materials and chalcogenides

Two-Dimensional [TIn2] Polyanions in BaTIn2 (T=Rh, Pd, Ir, Pt)—The Collapse of the Three-Dimensional Indium Polyanion of BaIn2

Rolf‐Dieter Hoffmann、Rainer Pöttgen2001-01-19Chemistry - A European Journal

The title compounds were prepared from the elements by reactions in sealed tantalum tubes in a high-frequency furnace. The four compounds were investigated by X-ray diffraction both on powders and single crystals, and the structures of the rhodium and platinum compounds were refined from single-crystal data: Cmcm, a =…

Rare-earth and actinide compoundsBoron and Carbon Nanomaterials ResearchIron-based superconductors research

Magnetic Compton scattering study of theCo2FeGaHeusler alloy: Experiment and theory

Aniruddha Deb、M. Itou、Y. Sakurai 等 5 位作者2001-01-19Physical review. B, Condensed matter

The spin density in ${\mathrm{Co}}_{2}\mathrm{FeGa}$ Heusler alloy has been measured in a magnetic Compton scattering experiment using 274-keV circularly polarized synchrotron radiation at the high energy inelastic scattering beamline (BL08W) at SPring-8, Japan. A detailed band-structure calculation including hyperfin…

Rare-earth and actinide compoundsMagnetic Properties of AlloysHeusler alloys: electronic and magnetic properties

Cavitation during isothermal crystallization of isotactic polypropylene

Remigiusz Nowacki、J. Kolasinska、Ewa Piórkowska2001-01-19Journal of Applied Polymer Science

Cavitation during isothermal crystallization of thin films of isotactic polypropylene was investigated systematically by light microscopy. Cavitation results from the negative pressure buildup due to density change during crystallization in the pockets of melts occluded by impinging spherulites. The morphology of such…

Polymer crystallization and propertiesRheology and Fluid Dynamics StudiesPolymer Science and PVC

Water-Soluble, Sulfonic Acid-Functionalized, Monolayer-Protected Nanoparticles and an Ionically Conductive Molten Salt Containing Them

Young‐Seok Shon、W. Peter Wuelfing、Royce W. Murray2001-01-19Langmuir

Sulfonic acid-functionalized monolayer-protected gold clusters (SO3-MPCs) have been synthesized by the reaction of the Bunte (thiosulfate) salt of 2-acrylamido-2-methyl-1-propanesulfonic acid (SO3) with tetrachloroaurate and borohydride in aqueous acetic acid. The nanoparticles produced have an average core diameter,…

Gold and Silver Nanoparticles Synthesis and ApplicationsMolecular Junctions and NanostructuresNanocluster Synthesis and Applications

The Facile Preparation of Weakly Coordinating Anions: Structure and Characterisation of Silverpolyfluoroalkoxyaluminates AgAl(ORF)4, Calculation of the Alkoxide Ion Affinity

Ingo Krossing2001-01-19Chemistry - A European Journal

Purified LiAlH4 reacts with fluorinated alcohols HORF to give LiAl(ORF)4 (RF=−CH(CF3)2, 2 a; −C(CH3)(CF3)2, 2 b; −C(CF3)3, 2 c) in 77 to 90 % yield. The crude lithium aluminates LiAl(ORF)4 react metathetically with AgF to give the silver aluminates AgAl(ORF)4 (RF=−CH(CF3)2, 3 a; −C(CH3)(CF3)2, 3 b; −C(CF3)3, 3 c) in a…

Polyoxometalates: Synthesis and Applications