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First Excited State Properties and Static Hyperpolarizability of Ruthenium(II) Ammine Complexes

Talgat M. Inerbaev、Rodion V. Belosludov、Hiroshi Mizuseki 等 5 位作者2006-07-12Journal of Chemical Theory and Computation

First principles calculations were used to study the electronic excitation energies (E), transition dipole moments (μ), and difference of dipole moments between ground and excited states (Δμ) for low-lying singlets of the series of ruthenium(II) ammine complexes. Both cases of the gas phase and the acetonitrile soluti…

Metal complexes synthesis and propertiesNonlinear Optical Materials ResearchPhotochemistry and Electron Transfer Studies

Rotation in Suspension of a Rod-Shaped Colloid

Liang Hong、Stephen M. Anthony、Steve Granick2006-07-12Langmuir

The simple strategy of coating a closely packed colloid monolayer with a nanometer-thick metal film to connect colloidal spheres and then gently sonicating produces a series of colloid metastructures, including rods and planar sheets. These structures can be fluorescently labeled, which can serve as a probe to monitor…

Microfluidic and Bio-sensing TechnologiesMicro and Nano RoboticsPickering emulsions and particle stabilization

The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate

Lukáš Palatinus、Michal Dušek、Robert Glaum 等 4 位作者2006-07-12Acta Crystallographica Section B Structural Science

Chromium(II) diphosphate, Cr(2)P(2)O(7), has an incommensurately modulated structure at ambient conditions with a = 7.05, b = 8.41, c = 4.63 A, beta = 108.71 degrees and q = (-0.361, 0, 0.471). It undergoes a phase transition towards a commensurate structure with a commensurate q vector, q = (-1/3, 0, 1/2), at T(c) =…

Crystal Structures and PropertiesChemical Synthesis and CharacterizationX-ray Diffraction in Crystallography

Polypyrrole Self-Assembled Monolayers and Electrostatically Assembled Multilayers on Gold and Platinum Electrodes for Molecular Junctions

Barbara Vercelli、Gianni Zotti、Anna Berlin 等 4 位作者2006-07-12Chemistry of Materials

Self-assembled monolayers (SAMs) and electrostatically assembled multilayers of some soluble polypyrroles (including a thiol-functionalized polypyrrole) were produced on gold and platinum electrodes. Gold and platinum surfaces were used either bare or primed with an anionic monolayer of 3-mercaptopropylsulfonate or Na…

Conducting polymers and applicationsMolecular Junctions and NanostructuresAnalytical Chemistry and Sensors

Bis(bismuth)toluene Inverted-Sandwich Complex Supported by Aminetris(phenoxide) Ligands

L.E. Turner、Matthew G. Davidson、Matthew D. Jones 等 6 位作者2006-07-12Inorganic Chemistry

The reaction of bismuth amides or alkoxides with phenolic ligand precursors yields Bi complexes of aminetris(phenoxide)s, one of which was characterized by X-ray crystallography, revealing monomeric Bi units of the tetradentate NO3 ligand further associated via a symmetrical toluene bridge into a bis(bismuth)toluene i…

Polyoxometalates: Synthesis and ApplicationsCatalysis and Oxidation ReactionsOxidative Organic Chemistry Reactions

Self‐Assembling Molecular Dumbbells: From Nanohelices to Nanocapsules Triggered by Guest Intercalation

Ja‐Hyoung Ryu、Hojoong Kim、Zhegang Huang 等 5 位作者2006-07-12Angewandte Chemie

Vielseitige Hanteln: Hantelförmige Moleküle auf der Basis eines Hexa-p-phenylenderivats selbstorganisieren sich in wässriger Lösung in gut definierte linksgängige helicale Fasern. Diese helicalen Nanofasern gehen bei der Einlagerung von aromatischen Gastmolekülen (rote Kugeln) reversibel in hohle Nanokapseln über.

Synthesis and Properties of Aromatic CompoundsSupramolecular Self-Assembly in MaterialsPolydiacetylene-based materials and applications

Phase field modeling of solidification under stress

Julia Slutsker、Katsuyo Thornton、A. L. Roytburd 等 5 位作者2006-07-12Physical Review B

We consider a phase field model that includes a stress field during nonisothermal phase transformation of a single-component system. The model is applied to the solidification and melting of confined spherical volumes, where sharp interface solutions can be obtained and compared with the results of the phase field sim…

Aluminum Alloy Microstructure PropertiesHigh Temperature Alloys and CreepSolidification and crystal growth phenomena

Bistable Polymorphs Showing Diamagnetic and Paramagnetic States of an Organic Crystalline Biradical Biphenyl-3,5-diyl Bis(tert-butylnitroxide)

Hirokazu Nishimaki、Shinichiro Mashiyama、Masanori Yasui 等 5 位作者2006-07-12Chemistry of Materials

The practically diamagnetic phase of the title biradical underwent a solid-state phase transition at 350 K with a drastic χmolT jump by an almost ideal value of 1 cm3 K mol-1 to give a stable S = 1 paramagnetic state.

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesMolecular spectroscopy and chirality

Polyhedral Oligomeric Silsesquioxane Nanocomposite Thin Films via Layer-by-layer Electrostatic Self-Assembly

Guojun Wu、Zhaohui Su2006-07-12Chemistry of Materials

Fabrication of ultrathin polymer composite films with low dielectric constants has been demonstrated. Octa(aminophenyl)silsesquioxane (OAPS) was synthesized and assembled with poly(acrylic acid) (PAA) and poly(styrene sulfonate) (PSS) via a layer-by-layer electrostatic self-assembly technique to yield nanoporous ultra…

Polymer Surface Interaction StudiesCopper Interconnects and ReliabilitySilicone and Siloxane Chemistry

Polyaryl Ether Dendrimer with a 4-Phenylacetyl-5-pyrazolone-based Terbium(III) Complex as Core: Synthesis and Photopysical Properties

Liguo Shen、Mei Shi、Fuyou Li 等 9 位作者2006-07-12Inorganic Chemistry

A series of novel dendritic beta-diketone ligands, 1-phenyl-3-[G-n]-4-phenylacetyl-5-pyrazolone (n = 0-3, G stands for polyaryl ether), were synthesized by introducing Fréchet-type dendritic branches. The corresponding Tb3+-cored dendritic complexes were characterized by X-ray crystallography, elemental analysis, ESI…

Organic Light-Emitting Diodes ResearchLuminescence and Fluorescent MaterialsDendrimers and Hyperbranched Polymers

Classification of stacking faults and their stepwise elimination during the disorder → order transformation of nickel hydroxide

T. N. Ramesh、P. Vishnu Kamath、C. Shivakumara2006-07-12Acta Crystallographica Section B Structural Science

Nickel hydroxide samples obtained by strong alkali precipitation are replete with stacking faults. The local structures of the stacking faults resemble the stacking patterns of different polytypic modifications that are theoretically possible among the layered hydroxides. This resemblance becomes a basis for the class…

Advanced ceramic materials synthesisMagnesium Oxide Properties and ApplicationsPigment Synthesis and Properties

Formation Mechanism of Si3N4 Nanowires via Carbothermal Reduction of Carbonaceous Silica Xerogels

Feng Wang、Guoqiang Jin、Xiang‐Yun Guo2006-07-12The Journal of Physical Chemistry B

Si3N4 nanowires prepared from the carbothermal reduction of carbonaceous silica xerogels with metal salt additives usually contain a small amount of nanotubes. This paper is devoted to the investigation of the formation mechanism of the Si3N4 nanowires. As-prepared samples heated at 1300 degrees C for different reacti…

Semiconductor materials and devicesSilicon Nanostructures and PhotoluminescenceGa2O3 and related materials

A Novel α-Ketoglutaric Semialdehyde Dehydrogenase

Seiya Watanabe、Tsutomu Kodaki、Keisuke Makino2006-07-12Journal of Biological Chemistry

Azospirillum brasilense possesses an alternative pathway of l-arabinose metabolism, which is different from the known bacterial and fungal pathways. In a previous paper (Watanabe, S., Kodaki, T., and Makino, K. (2006) J. Biol. Chem. 281, 2612-2623), we identified and characterized l-arabinose 1-dehydrogenase, which ca…

Microbial Metabolic Engineering and BioproductionEnzyme Structure and FunctionBiochemical and Molecular Research

Accurate Enthalpies of Formation of Alkali and Alkaline Earth Metal Oxides and Hydroxides: Assessment of the Correlation Consistent Composite Approach (ccCA)

Dustin S. Ho、Nathan J. DeYonker、Angela K. Wilson 等 4 位作者2006-07-12The Journal of Physical Chemistry A

Computing the enthalpies of formation for alkali metal and alkaline earth metal oxides (M(x)O) and hydroxides [M(OH)(n)] using the Gaussian-n (Gn) and Weismann-n (Wn) ab initio model chemistries is difficult due to an improper treatment of core-valence electron correlation effects. Using a new model chemistry called t…

Radioactive element chemistry and processingThermal and Kinetic AnalysisChemical Thermodynamics and Molecular Structure

Atomic Oxygen Recombination on Quartz at High Temperature: Experiments and Molecular Dynamics Simulation

Larbi Bedra、M. Rutigliano、Marianne Balat‐Pichelin 等 4 位作者2006-07-12Langmuir

A joint experimental and theoretical approach has been developed to study oxygen atom recombination on a beta-quartz surface. The experimental MESOX setup has been applied for the direct measurement of the atomic oxygen recombination coefficient gamma at T(S) = 1000 K. The time evolution of the relative atomic oxygen…

Catalytic Processes in Materials ScienceAdvancements in Solid Oxide Fuel CellsCatalysis and Oxidation Reactions

Lanthanide-Containing Metallomesogens with Low Transition Temperatures

Yue‐tao Yang、Kris Driesen、Peter Nockemann 等 6 位作者2006-07-12Chemistry of Materials

Lanthanide-containing liquid crystals exhibiting a mesophase close to room temperature were obtained by adduct formation between a long-chain salicylaldimine Schiff base and tris(2-thenoyltrifluoroacetonato)lanthanide(III) complexes or tris(benzoyltrifluoroacetonato)lanthanide(III) complexes. The mesophase was identif…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesElectron Spin Resonance Studies

Layer-by-Layer Enzyme/Polyelectrolyte Films as a Functional Protective Barrier in Oxidizing Media

Tatsiana G. Shutava、Dinesh S. Kommireddy、Yuri Lvov2006-07-12Journal of the American Chemical Society

The influence of a catalase (Cat) layer located at different depths in the layer-by-layer hemoglobin/polystyrene sulfonate films with an (Hb/PSS)(20)(-)(x)/(Cat/PSS)/(Hb/PSS)(x) (x = 0-20) architecture on kinetics of hemoglobin degradation under treatment with hydrogen peroxide solutions of different concentrations an…

Electrospun Nanofibers in Biomedical ApplicationsPolymer Surface Interaction StudiesDendrimers and Hyperbranched Polymers

Electroluminescent Polyhedral Oligomeric Silsesquioxane-Based Nanoparticle

Hoon‐Je Cho、Do‐Hoon Hwang、Jeong Ik Lee 等 8 位作者2006-07-12Chemistry of Materials

A polyhedral oligomeric silsesquioxane (POSS)-based blue light electroluminescent nanoparticle, POSS-FL3, which contains a terfluorene chromophore on each of its eight arms, was easily prepared via the hydrosilation reaction between octakis(dimethylsiloxy)silsesquioxane and an allyl-functionalized terfluorene chromoph…

Metal and Thin Film MechanicsSemiconductor materials and devicesSilicone and Siloxane Chemistry

Complete UV emission of ZnO nanoparticles in a PMMA matrix

Xi‐Wen Du、Ying-Song Fu、Jing Sun 等 5 位作者2006-07-12Semiconductor Science and Technology

Preparation and photoluminescence (PL) properties of zinc oxide (ZnO) nanoparticles embedded in a lipophilic polymethyl methacrylate (PMMA) matrix are reported in detail with an unbalanced sol–gel route. A high-resolution transmission electron microscope (HRTEM) indicates that ZnO particles are highly crystallized, wi…

Advanced Photocatalysis TechniquesZnO doping and propertiesGa2O3 and related materials

Optical Properties of Au−Ag Nanoboxes Studied by Single Nanoparticle Spectroscopy

Min Hu、Hristina Petrova、Andrew R. Sekkinen 等 10 位作者2006-07-12The Journal of Physical Chemistry B

The optical properties of two Au-Ag nanobox samples with average edge lengths of 44 and 58 nm and wall thicknesses of 6 and 8 nm, respectively, have been studied by single particle spectroscopy. The measurements gave an average line width of Gamma = 306 +/- 7 meV with a standard deviation of sigma = 30 meV for the 44-…

Gold and Silver Nanoparticles Synthesis and ApplicationsQuantum Dots Synthesis And Propertiesnanoparticles nucleation surface interactions