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Theoretical Calculations of the Electronic Absorption Spectra of Oxotitanium(IV) Phthalocyanine in the Solid State

Katsunori Nakai、Kazuyuki Ishii、Nagao Kobayashi 等 5 位作者2003-08-13The Journal of Physical Chemistry B

Oxotitanium(IV) phthalocyanine (OTiPc) has been reported to be a near-IR-active photoconductor, where crystal modifications termed phases I, II, and Y exist. In this paper, solid-state electronic absorption spectra of OTiPc have been theoretically calculated by considering three origins (i.e., exciton, charge transfer…

TiO2 Photocatalysis and Solar CellsPorphyrin and Phthalocyanine ChemistryPhotochemistry and Electron Transfer Studies

Effect of a silicate filler on the crystal morphology of poly(trimethylene terephthalate)/clay nanocomposites

Xianbo Hu、Alan J. Lesser2003-08-13Journal of Polymer Science Part B Polymer Physics

Abstract A series of intercalated poly(trimethylene terephthalate) (PTT)/clay nanocomposites were prepared in a twin‐screw extruder by the melt mixing of PTT with either quaternary or ternary ammonium salt‐modified clays. The morphology and structure, along with the crystallization and melting behavior, and the dynami…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Crystalline‐State Reaction with Allosteric Effect in Spin‐Crossover, Interpenetrated Networks with Magnetic and Optical Bistability

V. Niel、Amber L. Thompson、M. Carmen Muñoz 等 6 位作者2003-08-13Angewandte Chemie

Hin und her, das ist nicht schwer: Ein vollständig reversibler Ligandenaustausch unter Bindung und Dissoziation von gasförmigem Wasser und Pyrimidin induziert die wiederholte allosterische Umwandlung dreier ineinander verwobener Netzwerke zu einem einzigen, dreidimensionalen Netz. Die Umwandlung betrifft nicht die Kri…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesOrganic and Molecular Conductors Research

Capillary Precipitation of a Highly Polymorphic Organic Compound

Jon Hilden、Caesar E. Reyes、Matthew Kelm 等 6 位作者2003-08-13Crystal Growth & Design

Crystallization of pharmaceutically active compounds from saturated solutions by means of solvent evaporation typically involves a nucleation and growth process. At slow solvent evaporation rates, nuclei of the stable forms (polymorphs) will grow at the expense of any metastable forms present in the crystallizing mixt…

Analytical Chemistry and ChromatographyInnovative Microfluidic and Catalytic Techniques InnovationCrystallization and Solubility Studies

Ordnungsphänomene und Phasenübergänge in einer Spin‐Crossover‐Verbindung: [Fe(2‐pic)3]Cl2⋅EtOH durchläuft eine geordnete Zwischenphase

Dmitry Chernyshov、M. Hostettler、Karl W. Törnroos 等 4 位作者2003-08-13Angewandte Chemie

Fehlordnung, Ordnung und wieder Fehlordnung: Im Widerspruch zu allen früheren Untersuchungen befindet sich zwischen den zwei bekannten, fehlgeordneten Phasen (LS und HS) von [Fe(2-pic)3]Cl2⋅EtOH eine geordnete Phase (ZP) mit zwei kristallographisch verschiedenen Eisenlagen. Im Bild sind die Eisen-x-Koordinaten für all…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesMetal-Catalyzed Oxygenation Mechanisms

Compatibility of low‐density polyethylene/poly(ethylene‐co‐vinyl acetate) binary blends prepared by melt mixing

GEORGE TAKIDIS、Dimitrios Ν. Bikiaris、George Z. Papageorgiou 等 5 位作者2003-08-13Journal of Applied Polymer Science

Abstract The compatibility of low‐density polyethylene and poly(ethylene‐ co ‐vinyl acetate) containing 18 wt % vinyl acetate units (EVA‐18) was studied. For this purpose, a series of different blends containing 25, 50, or 75 wt % EVA‐18 were prepared by melt mixing with a single‐screw extruder. For each composition,…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Continuous Coprecipitation of Catalysts in a Micromixer: Nanostructured Cu/ZnO Composite for the Synthesis of Methanol

Michael Schur、Bettina Bems、Alina Dassenoy 等 9 位作者2003-08-13Angewandte Chemie International Edition

A new purpose: Microreactors are commonly used in molecular high-throughput synthesis. Their use for the formation of catalysts through the precipitation of inorganic components is new. The product shows a high degree of nanostructuring (see electron microscopy image), which is at least partly retained in the subseque…

Catalytic Processes in Materials ScienceCatalysts for Methane ReformingNanomaterials for catalytic reactions

Gram‐Scale Synthesis of Submicrometer‐Long Polythiophene Wires in Mesoporous Silica Matrices

Guangtao Li、Sheshanath V. Bhosale、Tianyu Wang 等 6 位作者2003-08-13Angewandte Chemie International Edition

Mesoporous materials get wired: Micelles of the thienyl-substituted ammonium ion 1 in aqueous ammonia solution are applied as matrices for the formation of mesoporous silicate particles from tetraethylorthosilicate. After oxidation with FeCl3 and treatment with HF, polymeric wires with a bimolecular diameter of 3 nm a…

Mesoporous Materials and CatalysisPolyoxometalates: Synthesis and ApplicationsCovalent Organic Framework Applications

Photoluminescence mechanism model for oxidized porous silicon and nanoscale-silicon-particle-embedded silicon oxide

G. G. Qin、Y. J. Li2003-08-13Physical review. B, Condensed matter

There is much debate about the photoluminescence (PL) mechanisms of the nanoscale Si/Si oxide systems containing oxidized porous silicon and a nanoscale-Si-particle (NSP)---embedded Si oxide deposited by chemical vapor deposition, sputtering, or Si-ion implanting into Si oxide. In this paper, we suggest that two compe…

Semiconductor materials and devicesSilicon Nanostructures and PhotoluminescenceNanowire Synthesis and Applications

Calculation of optical absorption spectra of hydrogenated Si clusters: Bethe-Salpeter equation versus time-dependent local-density approximation

Lorin X. Benedict、Aaron Puzder、Andrew Williamson 等 8 位作者2003-08-13Physical review. B, Condensed matter

We present calculations of the optical absorption spectra of clusters ${\mathrm{SiH}}_{4},$ ${\mathrm{Si}}_{10}{\mathrm{H}}_{16},$ ${\mathrm{Si}}_{17}{\mathrm{H}}_{36},$ ${\mathrm{Si}}_{29}{\mathrm{H}}_{24},$ and ${\mathrm{Si}}_{35}{\mathrm{H}}_{36},$ as determined from two different methods: the Bethe-Salpeter equati…

Advanced Chemical Physics StudiesLuminescence Properties of Advanced MaterialsSilicon Nanostructures and Photoluminescence

Single Molecule Visualization of Stable, Stiffness-Tunable, Flow-Conforming Worm Micelles

Paul Dalhaimer、Frank S. Bates、Dennis E. Discher2003-08-13Macromolecules

We describe fluorescence visualization of highly stable worm micelle superpolymers. The worm micelles are self-assembled in water from nonionic, block copolymer amphiphiles. By blending and polymerizing inert and cross-linkable copolymers, we form micelles up to tens of microns long with persistence lengths that conti…

Advanced Polymer Synthesis and CharacterizationSurfactants and Colloidal SystemsPolymer Surface Interaction Studies

Adaptive Behavior of Dynamic Combinatorial Libraries Generated by Assembly of Different Building Blocks

Z. Grote、Rosario Scopelliti、Kay Severin2003-08-13Angewandte Chemie International Edition

Democratic behavior: A strong bias for the amplification of assemblies, the composition of which reflects the overall composition of the library, can be observed in selection processes with dynamic combinatorial libraries. As a consequence, it is not necessarily the assembly with the highest affinity to a given target…

Supramolecular Chemistry and ComplexesChemical Synthesis and AnalysisSupramolecular Self-Assembly in Materials

Solvothermal Synthesis of a Tetradecametallic FeIII Cluster

D.M. Low、Leigh F. Jones、A. Bell 等 8 位作者2003-08-13Angewandte Chemie International Edition

Solvothermal techniques allow the crystallization of high nuclearity products that are otherwise inaccessible by conventional techniques, directly from the reaction mixture. By this method, the reaction of the triangular species [Fe3O(OAc)6(H2O)3]Cl with benzotriazole (BtaH) produces an [Fe14] cluster (depicted) with…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesMetal-Catalyzed Oxygenation Mechanisms

Synthesis and Magnetic Properties of a Metallacryptate that Behaves as a Single‐Molecule Magnet

C. Dendrinou-Samara、Maria Alexiou、Curtis M. Zaleski 等 7 位作者2003-08-13Angewandte Chemie International Edition

Crypt analysis: The reaction of manganese(II) chloride with sodium hydroxide, di-(2-pyridyl)-ketonoxime, and sodium azide yields a metallacryptate consisting of 26 manganese centers, namely, four MnII (see picture; gold spheres) and 22 MnIII ions (green, aqua, and blue spheres). Results obtained from ac SQUID magnetic…

Magnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryLanthanide and Transition Metal Complexes

Assessment of Experimental Bond Dissociation Energies Using Composite ab Initio Methods and Evaluation of the Performances of Density Functional Methods in the Calculation of Bond Dissociation Energies

Yong Feng、Lei Liu、Jin-Ti Wang 等 5 位作者2003-08-13Journal of Chemical Information and Computer Sciences

Composite ab initio CBS-Q and G3 methods were used to calculate the bond dissociation energies (BDEs) of over 200 compounds listed in CRC Handbook of Chemistry and Physics (2002 ed.). It was found that these two methods agree with each other excellently in the calculation of BDEs, and they can predict BDEs within 10 k…

Thermal and Kinetic AnalysisChemical Thermodynamics and Molecular StructureFree Radicals and Antioxidants

Fabrication of a Metalloporphyrin−Polyoxometalate Hybrid Film by a Layer-by-Layer Method and Its Catalysis for Hydrogen Evolution and Dioxygen Reduction

Yan Shen、Jianyun Liu、Junguang Jiang 等 5 位作者2003-08-13The Journal of Physical Chemistry B

[Tetrakis ( N -methylpyridyl) porphyrinato] cobalt (CoTMPyP) and 1:12 silicotungstic acid (SiW 12 ) were alternately deposited on a 4-aminobenzoic acid (4-ABA) -modified glassy carbon electrode through a layer-by-layer method. The resulting organic−inorganic hybrid films were characterized by cyclic voltammetry (CV) a…

Electrocatalysts for Energy ConversionConducting polymers and applicationsPolyoxometalates: Synthesis and Applications

Physical properties of single-crystalline fibers of the colossal-magnetoresistance manganite La0.7Ca0.3MnO3

C. A. Cardoso、F. M. Araujo-Moreira、M. R. B. Andreeta 等 8 位作者2003-08-13arXiv

We have grown high-quality single crystals of the colossal-magnetoresistance (CMR) material La0.7Ca0.3MnO3 by using the laser heated pedestal growth (LHPG) method. Samples were grown as fibers of different diameters, and with lengths of the order of centimeters. Their composition and structure were verified through X-…

Materials Science

Multicolor Photochromism of Two- and Three-Component Diarylethene Crystals

Masakazu Morimoto、Seiya Kobatake、Masahiro Irie2003-08-13Journal of the American Chemical Society

Novel photochromic single crystals composed of three different kinds of diarylethenes, 1,2-bis(3,5-dimethyl-2-thienyl)perfluorocyclopentene (1a), 1,2-bis(2,5-dimethyl-3-thienyl)perfluorocyclopentene (2a), and 1,2-bis(2-methyl-5-p-methoxyphenyl-3-thienyl)perfluorocyclopentene (3a), have been prepared. The three-compone…

Olfactory and Sensory Function StudiesPhotochromic and Fluorescence ChemistryPhotoreceptor and optogenetics research

A Molecular Metal Ferromagnet from the Organic Donor Bis(ethylenedithio)tetraselenafulvalene and Bimetallic Oxalate Complexes

Antonio Alberola、Eugenio Coronado、José Ramón Galán‐Mascarós 等 5 位作者2003-08-13Journal of the American Chemical Society

A new dual-function hybrid molecular material has been obtained from the organic donor bis(ethylenedithio)tetraselenafulvalene and the honeycomb oxalate-based bimetallic network [MnCr(ox)3]-. This multilayer material consists of layers of the inorganic anionic 2D network, responsible for the appearance of ferromagneti…

Perovskite Materials and ApplicationsMagnetism in coordination complexesOrganic and Molecular Conductors Research

Phonon Activity and a Possible Lattice Arrangement in the Intermediate Phase of YVO3

Nestor E. Massa、Cinthia Piamonteze、Helio C. N. Tolentino 等 6 位作者2003-08-13arXiv

We show that in YVO3 new hard phonons gradually become zone center active below ~210 K verifying that a lattice phase transition takes place at about that temperature. The Debye-Waller factor found from EXAFS measurements show an additional disorder below 150K seen as a departure from the thermal behavior. We bring up…

Materials Science