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Olefin Epoxidation with Transition Metal η2-Peroxo Complexes: The Control of Reactivity

Dirk V. Deubel、Jörg Sundermeyer、Gernot Frenking2001-07-01European Journal of Inorganic Chemistry

The activation energies for olefin epoxidation with Mimoun-type η2-peroxo complexes have been calculated using density functional methods. Six degrees of freedom of the complex [MOL(O2)(OER3)] and the olefin CH2CHR′ have been systematically modified. The calculations were based on the assumptions that the reaction fol…

Metal complexes synthesis and propertiesPolyoxometalates: Synthesis and ApplicationsMetal-Catalyzed Oxygenation Mechanisms

Syntheses and Crystal Structures of Ln(phen)2(NO3)3 with Ln = Pr, Nd, Sm, Eu, Dy, and phen = 1,10-phenanthroline

Yue‐Qing Zheng、Lin-Xia Zhou、Jian‐Li Lin 等 4 位作者2001-07-01Zeitschrift für anorganische und allgemeine Chemie

Five new complex compounds of the formula Ln(phen)2(NO3)3 were prepared. The X-ray structural analyses indicate that they crystallize isostructurally in the monoclinic space group C2/c (no. 15) with cell dimensions for example for Pr(phen)2(NO3)3: a = 11.194(1) Å, b = 18.095(2) Å, c = 13.101(2) Å, β = 100.52(1)°, V =…

Crystal structures of chemical compoundsMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Formation of Corrosion Products on Open and Confined Metal Surfaces Exposed to Periodic Wet/Dry Conditions—A Comparison Between Zinc and Electrogalvanized Steel

Furong Zhu、Daniel P. Persson、Dominique Thierry2001-07-01CORROSION

The formation of corrosion products during atmospheric corrosion on open and confined surfaces of electrogalvanized steel exposed to periodic wet/dry conditions was studied. The composition of the corrosion products was determined using Fourier transform infrared spectroscopy (FTIR) and extra information about the pha…

Corrosion Behavior and InhibitionConcrete Corrosion and Durability

Low-k materials etching in magnetic neutral loop discharge plasma

Yasuhiro Morikawa、Shoichiro Yasunami、W. Chen 等 5 位作者2001-07-01Journal of Vacuum Science & Technology A Vacuum Surfaces and Films

Low-k materials etching for FLARE™ and a porous silica were carried out in a magnetic neutral loop discharge plasma at low pressure, below 1 Pa. Fluorinated carbon molecules were used as etching gases for porous silica. The etch rate of the porous silica was approximately two times higher than that of thermal SiO2. Th…

Semiconductor materials and devicesDiamond and Carbon-based Materials ResearchPlasma Diagnostics and Applications

Optical spectra of Co 2+ in three synthetic silicate minerals

Michael N. Taran、George R. Rossman2001-07-01American Mineralogist

Polarized optical absorption spectra of three synthetic Co-bearing silicates, orthopyroxene, olivine and beryl, were studied at room and liquid nitrogen temperatures. In all three matrices, Co enters octahedral structural sites as the Co 2+ ion. In accordance with the d 7 electronic energy level diagram, the spectra s…

Geological and Geochemical AnalysisGlass properties and applicationsMineralogy and Gemology Studies

Flame Behavior of Cotton Coated with Polyurethane Containing Microencapsulated Flame Retardant Agent

Stéphane Giraud、Serge Bourbigot、Maryline Rochery 等 6 位作者2001-07-01Journal of Industrial Textiles

Polyurethane-phosphates combination is known to form flame retardant (FR) intumescent system. But the intumescent formulation could not be permanent because of the water solubility of the phosphate. This problem could be solved by the technique of microencapsulation. Microcapsules of di-ammonium hydrogen phosphate (DA…

Fire dynamics and safety researchFlame retardant materials and propertiesEnvironmental and Industrial Safety

Metallophthalocyanines Linked to Organic Copolymers as Efficient Oxidative Supported Catalysts

Muriel Sanchez、Nicolas Chap、Jean‐Bernard Cazaux 等 4 位作者2001-07-01European Journal of Inorganic Chemistry

The covalent anchoring of metallo(chlorosulfonyl)phthalocyanines 1 onto the acrylic copolymers 2 and 3 has been achieved. When using H2O2 or KHSO5 as oxidant, these supported catalysts are able to oxidize a poorly biodegradable molecule such as 2,4,6-trichlorophenol or a tannin model such as 3,5-di-tert-butylcatechol.…

Porphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation MechanismsOxidative Organic Chemistry Reactions

Graft Copolymerisation of Methyl Methacrylate onto a Bacterial Polyester Containing Unsaturated Side Chains

Songun Ilter、Bakı Hazer、Mehlika Borcaklı 等 4 位作者2001-07-01Macromolecular Chemistry and Physics

Poly(3-hydroxy alkanoate) containing unsaturated side chains was produced by feeding Pseudomonas oleovorans with soybean-oil acid (PHA-soybean). The composition of PHA-soybean were found to be 10 mol-% of unsaturated side chains with the saturated hexanoate, octanoate and decanoate units. Methyl methacrylate (MMA) was…

biodegradable polymer synthesis and propertiesMicroplastics and Plastic PollutionBiopolymer Synthesis and Applications

Molecular dynamics studies on local ordering in amorphous polyethylene

Akira Koyama、Takashi Yamamoto、Koji Fukao 等 4 位作者2001-07-01The Journal of Chemical Physics

A molecular dynamics (MD) simulation was performed on a linear poly(ethylene) model under bulk amorphous conditions. A molecule was composed of united atoms (CH2 and CH3 unit), and the pressure of the MD cell was controlled to be 1 atm. The system was stepwise cooled from 600 to 120 K. At each temperature 2 ns simulat…

Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesTheoretical and Computational Physics

Thermomechanical processing of high Si-steel (up to 6.3% Si)

Tatiana Da Ros、Yvan Houbaert、Ø. Fischer 等 4 位作者2001-07-01IEEE Transactions on Magnetics

Good properties for magnetostriction and hysteresis losses are obtained in steel with 6.5% Si, making high-Si steels interesting in electrical applications. A research program is described to evaluate the possibility to produce high-silicon steel up to 6.5% Si using an appropriate hot rolling program followed by cold…

Microstructure and Mechanical Properties of SteelsMetallurgy and Material FormingMagnetic Properties and Applications

Contribution of restricted rotors to quantum sieving of hydrogen isotopes

Bryan C. Hathorn、Bobby G. Sumpter、D. W. Noid2001-07-01Physical Review A

The rotational eigenvalues of isotopically substituted hydrogen molecules adsorbed into single-walled carbon nanotubes are calculated using a semiclassical method and using a model potential. The resulting eigenvalues are used to calculate the separation factors due to rotational confinement between different isotopic…

Hydrogen Storage and MaterialsChemical Synthesis and CharacterizationMuon and positron interactions and applications

Scaling and modeling in the analysis of dispersive relaxation of ionic materials

J. Ross Macdonald2001-07-01Journal of Applied Physics

Problems with scaling of conductive-system experimental Mdat″(ω) and σdat′(ω) data are considered and resolved by dispersive-relaxation-model fitting and comparison. Scaling is attempted for both synthetic and experimental M″(ω) data sets. A crucial element in all experimental frequency-response data is the influence…

Material Dynamics and PropertiesGlass properties and applicationsEarthquake Detection and Analysis

Self-diffusion in ceria

Craig L. Perkins、Michael A. Henderson、Charles Peden 等 4 位作者2001-07-01Journal of Vacuum Science & Technology A Vacuum Surfaces and Films

Ceria (CeO2) is an oxygen storage material vital to the proper functioning of automobile three-way catalysts and is typically viewed as an anion conductor. Prior experimental work using temperature programmed static secondary ion mass spectrometry (TPSSIMS) has indicated that for rutile TiO2, a prototypical oxide, the…

Catalytic Processes in Materials ScienceRadioactive element chemistry and processingIon-surface interactions and analysis

Synthesis, Dielectric, and Photochemical Study of Liquid Crystalline Main Chain Poly(ester imide)s Containing Cinnamoyl Moieties

Beate Sapich、Joachim Stumpe、Hans R. Kricheldorf 等 5 位作者2001-07-01Macromolecules

Photochromic liquid crystalline main chain poly(ester imide)s with cinnamoyl moieties and chiral groups as part of the backbone were characterized concerning their liquid crystalline, molecular dynamical, and photochemical properties. Homo- and copolymers were synthesized by polycondensation of mixtures containing iso…

Liquid Crystal Research AdvancementsPhotochromic and Fluorescence ChemistrySynthesis and properties of polymers

Ferrimagnetic ordering in nanostructured CdFe2O4 spinel

C. N. Chinnasamy、A. Narayanasamy、N. Ponpandian 等 10 位作者2001-07-01Journal of Applied Physics

Nanostructured CdFe2O4 spinel powders with various grain sizes ranging from 60 to 4 nm were synthesized by ball milling the bulk material. The magnetization measurements at 1 and 9 T reveal a spin-glass-like surface structure and the material is found to have a large anisotropy. Mössbauer studies at 10 K in external m…

Magnetic properties of thin filmsMultiferroics and related materialsMagnetic Properties and Synthesis of Ferrites

Structural transformations and silicon nanocrystallite formation in SiOx films

V.Ya. Bratus、V. A. Yukhimchuk、L. I. Berezhinsky 等 9 位作者2001-07-01Semiconductors

The results of a comprehensive study by the methods of IR absorption, Raman scattering, photoluminescence (PL), and electron spin resonance (ESR) of SiO x films prepared by thermal evaporation of SiO in a vacuum are presented. The nature of structural transformations occurring on annealing the films is determined. Ann…

Nanoparticles: synthesis and applicationsSilicon Nanostructures and PhotoluminescenceNanowire Synthesis and Applications

Determining the role of surfaces and interfaces in the powder metallurgy processing of aluminum alloy powders

Iver E. Anderson、J. C. Foley2001-07-01Surface and Interface Analysis

Abstract The current options for solid‐state consolidation processing of powder‐based advanced aluminum alloys have been very limited and complicated, resulting in a segregation of the applications primarily to the aerospace segment. Throughout any consolidation sequence for aluminum powders, the oxide and/or hydroxid…

Advanced ceramic materials synthesisAluminum Alloys Composites PropertiesAdditive Manufacturing and 3D Printing Technologies

Study of Thermal Melting Behavior of Microbial Polyhydroxyalkanoate Using Two-Dimensional Fourier Transform Infrared Correlation Spectroscopy

Ge Tian、Qiong Wu、Su-Qin Sun 等 5 位作者2001-07-01Applied Spectroscopy

The molecular level premelting process of purified biosynthesized polyester poly(hydroxybutyrate-co-hydroxyvalerate) or P(HB-co-HV) (20.4% HV) was investigated by two-dimensional Fourier transform infrared (2D FT-IR) correlation spectroscopy. Intensity variations and band shifts in the characteristic spectral regions…

Food composition and propertiesbiodegradable polymer synthesis and propertiesMicroplastics and Plastic Pollution

Dynamic micro-magnetic resonance imaging of liver micrometastasis in mice with a novel liver macromolecular magnetic resonance contrast agent DAB-Am64-(1B4M-Gd)(64).

Hisataka Kobayashi、Tsuneo Saga、Satomi Kawamoto 等 9 位作者2001-07-01PubMed

DAB-Am64-(1B4M-Gd)(64) is a newly synthesized macromolecular liver magnetic resonance imaging (MRI) contrast agent with a polypropylenimine diaminobutane (DAB) dendrimer conjugated with a bifunctional diethylenetriaminepentaacetic acid (DTPA) derivative for complexing Gd(III) atoms. The characteristics of DAB-Am64-(1B…

Nanoparticle-Based Drug DeliveryLanthanide and Transition Metal ComplexesDendrimers and Hyperbranched Polymers

Comparison of the corrosion behavior of die-upset and sintered NdFeB magnets

B.M. Ma、D. Lee、B.R. Smith 等 7 位作者2001-07-01IEEE Transactions on Magnetics

Corrosion rates for sintered NdFeB magnets are compared with NdFeB magnets prepared from melt spun material (hot pressed and die upset). Corrosion rates were determined by standard electrochemical methods in 0.9 M Na/sub 2/SO/sub 4/, at pH 2.4 and 4.4. Autoclave tests correlated quite well with corrosion rates measure…

Electric Motor Design and AnalysisMagnetic Properties and ApplicationsMagnetic Properties of Alloys