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Base-Promoted Selective Aryl Carbon−Bromine Bond Cleavage by Iridium(III) Porphyrin for Iridium(III) Porphyrin Aryl Synthesis: A Metalloradical Ipso Addition−Elimination Mechanism

Chi Wai Cheung、Kin Shing Chan2011-03-09Organometallics

K 2 CO 3 was found to promote selective aryl carbon−bromine bond (Ar−Br) cleavage by a high-valent iridium(III) porphyrin carbonyl chloride (Ir III (ttp)(CO)Cl, ttp = 5,10,15,20-tetra- p- tolylporphyrinato dianion) in benzene solvent at elevated temperature to give iridium(III) porphyrin aryls (Ir III (ttp)Ar) in high…

Catalytic C–H Functionalization MethodsRadical Photochemical ReactionsPorphyrin and Phthalocyanine Chemistry

Hp(0.07) photon dosemeters for eye lens dosimetry: calibration on a rod vs. a slab phantom

R. Behrens、Jörg Engelhardt、M. Figel 等 6 位作者2011-03-09Radiation Protection Dosimetry

In recent years, several papers dealing with eye lens dosimetry have been published as epidemiological studies are implying that the induction of cataracts occurs even at eye lens doses of less than 500 mGy. For that reason, the necessity to monitor the eye lens may become more important than it was before. However, o…

Lanthanide and Transition Metal ComplexesOcular Oncology and TreatmentsRadiopharmaceutical Chemistry and Applications

Experimental procedure for the characterization of radiation damage in macromolecular crystals

Ricardo M. F. Leal、Gleb Bourenkov、Olof Svensson 等 6 位作者2011-03-09Journal of Synchrotron Radiation

A reliable and reproducible method to automatically characterize the radiation sensitivity of macromolecular crystals at the ESRF beamlines has been developed. This new approach uses the slope of the linear dependence of the overall isotropic B-factor with absorbed dose as the damage metric. The method has been implem…

Protein Structure and DynamicsEnzyme Structure and FunctionX-ray Spectroscopy and Fluorescence Analysis

Grafting Reaction of Platinum Organometallic Complexes on Silica-Supported or Unsupported Heteropolyacids

Nicolas Legagneux、Erwann Jeanneau、Amélie Thomas 等 8 位作者2011-03-09Organometallics

Silica-supported Keggin-type heteropolyacids react with platinum(II) complexes displaying a Pt-CH 3 group, leading to the evolution of methane and the formation of an organometallic fragment grafted on the polyacid. This species has been characterized by various physicochemical methods such as microanalyses, infrared…

biodegradable polymer synthesis and propertiesPolyoxometalates: Synthesis and ApplicationsCarbon dioxide utilization in catalysis

Spectroscopic Properties of Azobenzene-Based pH Indicator Dyes: A Quantum Chemical and Experimental Study

Daniel Escudero、Sabine Trupp、Beate Bussemer 等 5 位作者2011-03-09Journal of Chemical Theory and Computation

The UV-visible absorption spectra of six new optical sensors based on acidochromic azobenzenes have been measured and assigned with the help of quantum chemical calculations. The investigated compounds are able to monitor the pH in the range from pH 3-10. Using the hybrid density functional PBE0 and including solvent…

Photochemistry and Electron Transfer StudiesPhotochromic and Fluorescence ChemistryVarious Chemistry Research Topics

A Kolsky tension bar technique using a hollow incident tube

O. Guzman、D. J. Frew、W Chen2011-03-09Measurement Science and Technology

Load control of the incident pulse profiles in compression Kolsky bar experiments has been widely used to subject the specimen to optimal testing conditions. Tension Kolsky bars have been used to determine dynamic material behavior since the 1960s with limited capability to shape the loading pulses due to the pulse-ge…

Energetic Materials and CombustionHigh-Velocity Impact and Material BehaviorElectromagnetic Launch and Propulsion Technology

Rheology of poly(methyl methacrylate) Langmuir monolayers: Percolation transition to a soft glasslike system

Armando Maestro、Francisco Ortega、Ramón G. Rubio 等 6 位作者2011-03-09The Journal of Chemical Physics

An experimental study of the equilibrium properties and of the surface rheology of Langmuir monolayers of poly(methyl methacrylate) (PMMA) at the air/water interface has been carried out as a function of polymer concentration (Γ) and molecular weight (M(w)). Dilational and shear complex elasticity moduli covering a fr…

Material Dynamics and PropertiesSurfactants and Colloidal SystemsRheology and Fluid Dynamics Studies

Gd3Ga5O12:Cr—a phosphor for two-dimensional thermometry in internal combustion engines

N. Fuhrmann、T. Kissel、Andreas Dreizler 等 4 位作者2011-03-09Measurement Science and Technology

The lifetime of thermographic phosphors needs to be short enough to resolve the temperature time scales and long enough to be properly resolved by the respective detector. Up until now, there has not been a thermographic phosphor that exhibits an adequate temperature lifetime characteristic for two-dimensional thermom…

Luminescence Properties of Advanced MaterialsThermography and Photoacoustic TechniquesOptical properties and cooling technologies in crystalline materials

Observation of Phonon Anomaly at the Armchair Edge of Single-Layer Graphene in Air

Wenjing Zhang、Lain‐Jong Li2011-03-09ACS Nano

Confocal Raman spectroscopy is used to study the phonon modes of mechanically exfoliated single-layer graphene sheets in ambient air. We observe that ambient gas induces obvious shifts in the G band frequency as well as the change in intensity ratio of 2D and G bands, I(2D)/I(G), owing to the Fermi energy change by am…

Carbon Nanotubes in CompositesGraphene research and applicationsThermal properties of materials

Time-Dependent Current Distributions of a Two-Terminal Carbon Nanotube-Based Electronic Device

Shizheng Wen、SiuKong Koo、ChiYung Yam 等 10 位作者2011-03-09The Journal of Physical Chemistry B

We have performed time-dependent density-functional theory calculations to simulate the transient electrical response of a carbon nanotube-based electronic device. Time-dependent current density and electrostatic potential distribution are calculated and analyzed. Strong local vortices are observed for the current. In…

Carbon Nanotubes in CompositesMechanical and Optical ResonatorsQuantum-Dot Cellular Automata

Auf dem Weg zu elektronisch abstimmbarem Graphen/Phthalocyanin‐PPV‐Hybridsystemen

Jenny Malig、Norbert Jux、Daniel Kiessling 等 7 位作者2011-03-09Angewandte Chemie

Die Exfoliation von Graphit gelang mithilfe eines Zink-Phthalocyanin-Oligomers, das gleichzeitig elektronische Wechselwirkungen aufbaut. Das resultierende funktionalisierte Graphenmaterial wurde mithilfe von Raman- und Elektronenspektroskopie untersucht und versuchsweise in einer photoelektrochemischen Zelle eingesetz…

Organic Electronics and PhotovoltaicsGraphene research and applicationsMolecular Junctions and Nanostructures

Metal-Dependent and Redox-Selective Coordination Behaviors of Metalloligand [MoV(1,2-benzenedithiolato)3]−with CuI/AgIIons

Takeshi Matsumoto、Ho‐Chol Chang、Atsushi Kobayashi 等 5 位作者2011-03-09Inorganic Chemistry

The synthesis and characterization of two coordination polymers, {Cu(I)[Mo(V)(bdt)(3)]·0.5Et(2)O}(n) (1·0.5Et(2)O, bdt: o-benzenedithiolato) and {Ag(I)[Mo(V)(bdt)(3)]}(n) (2), composed of redox-active [Mo(V)(bdt)(3)](-) metalloligand with Cu(I) and Ag(I) ions are reported. The complexation reactions of [Mo(V)(bdt)(3)]…

Magnetism in coordination complexesOrganic and Molecular Conductors ResearchOrganometallic Compounds Synthesis and Characterization

Optical investigations of chemically pressurized EuFe 2 ( As 1 − x P x ) 2 : An s -wave superconductor with strong interband interactions

Dan Wu、G. Chanda、H. S. Jeevan 等 5 位作者2011-03-09Physical Review B

Superconducting ${\mathrm{EuFe}}_{2}$(${\mathrm{As}}_{0.82}{\mathrm{P}}_{0.18}$)${}_{2}$ single crystals are investigated by broad-band infrared spectroscopy. Below ${T}_{c}=28$ K, a superconducting gap forms at $2{\ensuremath{\Delta}}_{0}=9.5 \mathrm{meV}=3.7{k}_{B}{T}_{c}$, causing the reflectivity to sharply rise t…

Physics of Superconductivity and MagnetismRare-earth and actinide compoundsIron-based superconductors research

Fluorinated vinyl ether homopolymers and copolymers: Living cationic polymerization and temperature‐induced solubility transitions in various organic solvents including perfluoro solvents

Hiroaki Shimomoto、Dai Fukami、Shokyoku Kanaoka 等 4 位作者2011-03-09Journal of Polymer Science Part A Polymer Chemistry

Abstract Partially fluorinated poly(vinyl ether)s with C 4 F 9 and C 6 F 12 H groups in the side chain were synthesized via living cationic polymerization in the presence of an added base in a fluorine‐containing solvent, dichloropentafluoropropanes. For comparison, the polymerization of vinyl ether monomers with C 2…

Advanced Polymer Synthesis and CharacterizationSynthesis and properties of polymersSilicone and Siloxane Chemistry

Lithium ion storage between graphenes

Yue Chan、James M. Hill2011-03-09Nanoscale Research Letters

In this article, we investigate the storage of lithium ions between two parallel graphene sheets using the continuous approximation and the 6-12 Lennard-Jones potential. The continuous approximation assumes that the carbon atoms can be replaced by a uniform distribution across the surface of the graphene sheets so tha…

Advancements in Battery MaterialsGraphene research and applicationsLow-power high-performance VLSI design

Coalescence of Bubbles and Stability of Foams in Brij Surfactant Systems

Sayantan Samanta、Pallab Ghosh2011-03-09Industrial & Engineering Chemistry Research

This work presents coalescence of air bubbles and stability of foams in aqueous solutions of polyoxyethylene (4) lauryl ether (Brij 30), polyoxyethylene (23) lauryl ether (Brij 35), and polyoxyethylene (20) oleyl ether (Brij 98). Adsorption of these surfactants at the air−water interface was also studied. The surface…

Surface Modification and SuperhydrophobicitySurfactants and Colloidal SystemsPickering emulsions and particle stabilization

Effects of interstitial impurities on the high pressure martensitic α to ω structural transformation and grain growth in zirconium

Nenad Velisavljevic、Gary N. Chesnut、Lewis L. Stevens 等 4 位作者2011-03-09Journal of Physics Condensed Matter

Static high pressure diamond anvil cell experiments were performed on three polycrystalline Zr samples having varying interstitial impurity concentrations. Systematic increase in transition pressure with the increase in the amount of interstitial impurities is observed for the martensitic α →ω structural phase transit…

Microstructure and mechanical propertiesIntermetallics and Advanced Alloy PropertiesNuclear Materials and Properties

Four New Compounds Constructed from Bis‐Antimony‐Capped Keggin Polyoxoanions {PMo12Sb2O40} and Different Coordination Fragments

Li‐Na Xiao、Yu Peng、Yan Wang 等 9 位作者2011-03-09European Journal of Inorganic Chemistry

Abstract Four new heteropolyanions {[PMo 12 Sb 2 O 40 ][Cu(Im) 2 ] 2 } · Im ( 1 ), {[PMo 12 Sb 2 O 40 ][(Cd(Phen) 2 ) 2 Cl]} ( 2 ), [Cu(Phen) 2 ] 2 [PMo 12 Sb 2 O 40 ] ( 3 ) and [Cd(bpy) 4 (H 2 O) 2 ][PMo 12 Sb 2 O 40 ] · bpy · 2H 2 O ( 4 ) (Im = imidazole, Phen = 1,10‐phenanthroline, bpy = 4,4′‐bipyridine) have been…

Metal-Organic Frameworks: Synthesis and ApplicationsPolyoxometalates: Synthesis and ApplicationsVanadium and Halogenation Chemistry

Effect of core energy on mobility in a continuum dislocation model

Dong Wook Lee、Hojin Kim、Alejandro Strachan 等 4 位作者2011-03-09Physical Review B

We present a first-principles-based, multiscale single-crystal plasticity model for fcc metals and apply it to nickel. The model consists of a phase field approach to dislocation dynamics (PFDD) with all its input parameters obtained from equilibrium and nonequilibrium molecular-dynamics (MD) simulations. The atomisti…

Microstructure and mechanical propertiesAluminum Alloy Microstructure PropertiesHigh Temperature Alloys and Creep

Improved Kolsky tension bar for high-rate tensile characterization of materials

Bo Song、Bonnie R. Antoun、Kevin Connelly 等 5 位作者2011-03-09Measurement Science and Technology

A new Kolsky tension bar has been re-designed and developed at Sandia National Laboratories, CA. The new design uses the concept that a solid striker is fired to impact an end cap attached to the open end of the gun barrel to generate dynamic tensile loading. The gun barrel here serves as part of the loading device. T…

Laser-Plasma Interactions and DiagnosticsHigh-Velocity Impact and Material BehaviorElectromagnetic Launch and Propulsion Technology