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MCD C-Term Signs, Saturation Behavior, and Determination of Band Polarizations in Randomly Oriented Systems with Spin S ≥ 1/2. Applications to S = 1/2 and S = 5/2

Frank Neese、Edward I. Solomon1999-03-19Inorganic Chemistry

The magnetic circular dichroism (MCD) properties of a spin-allowed transition from an orbitally nondegenerate ground state manifold A to an orbitally nondegenerate excited state manifold J in the presence of spin-orbit coupling (SOC) are derived for any S >/= (1)/(2). Three physically distinct mechanisms are identifie…

Magnetism in coordination complexesSpectroscopy and Quantum Chemical StudiesMolecular spectroscopy and chirality

Catalytic Oxidation of Carbon Monoxide on Monodispersed Platinum Clusters: Each Atom Counts

Ueli Heiz、A. Sanchez、Stéphane Abbet 等 4 位作者1999-03-19OpenAlex

Nanoclusters open fascinating opportunities for quantum engineering because quantum-size effects become dominant in determining catalytic, 1 - 3 optical, 4 electronic, 5 and magnetic 6 properties. We succeeded in the controlled production of low-energy and high-flux monodispersed cluster beams, which allow for a syste…

Advanced Chemical Physics StudiesCatalytic Processes in Materials Sciencenanoparticles nucleation surface interactions

Siloxane-Based Solid Networks, from Silicas to Silicones

Gary E. Maciel1999-03-18ACS symposium series

The 29 Si MAS NMR spectra of samples that contain the siloxane (Si-0-Si) linkage reflect the wide range of materials that are substantially held together by siloxane-based networks. These materials include naturally occurring silicas, clays and zeiolites, as well as such synthetic materials as functionalized polysilox…

Glass properties and applicationsMesoporous Materials and CatalysisSilicone and Siloxane Chemistry

Sonochemical Degradation Rates of Volatile Solutes

A. J. Colussi、Hui‐Ming Hung、Michael R. Hoffmann1999-03-18The Journal of Physical Chemistry A

We report degradation rates of chlorinated methanes, ethanes, and ethenes spanning the range of Henry's law constants 0.9 ≤ H /(atm M -1 ) ≤ 24.5 in water solutions sonicated at f = 205, 358, 618, and 1078 kHz. First-order degradation rate constants, k - X, vary as k - X ∼ H X 0.30±0.03 at all frequencies, change with…

Fluid Dynamics and MixingUltrasound and Hyperthermia ApplicationsUltrasound and Cavitation Phenomena

Synthesis and Characterization of Mesoporous Chromium-Containing Silica Tube Molecular Sieves CrMCM-41

Zhidong Zhu、Zhixiang Chang、Larry Kevan1999-03-18The Journal of Physical Chemistry B

A series of mesoporous chromium-containing silica tube molecular sieves (CrMCM-41) with variable Si/Cr ratios have been synthesized and characterized by powder X-ray diffraction (XRD), electron probe microanalysis (EPMA), Fourier transform infrared spectroscopy (FTIR), diffuse reflectance UV−visible spectroscopy (UV−v…

Metal-Organic Frameworks: Synthesis and ApplicationsCatalytic Processes in Materials ScienceMesoporous Materials and Catalysis

The Dynamical Cluster Approximation: Non-Local Dynamics of Correlated Electron Systems

M. H. Hettler、M. Mukherjee、M. Jarrell 等 4 位作者1999-03-18arXiv

We recently introduced the dynamical cluster approximation(DCA), a new technique that includes short-ranged dynamical correlations in addition to the local dynamics of the dynamical mean field approximation while preserving causality. The technique is based on an iterative self-consistency scheme on a finite size peri…

Materials ScienceStrongly Correlated Electrons

Properties of Materials

Mary Anne White、T. F. Rosenbaum1999-03-18OpenAlex

PART I: INTRODUCTION 1. Materials Science PART II: COLOUR AND OTHER OPTICAL PROPERTIES OF MATTER PART III: THERMAL PROPERTIES OF MATERIALS PART IV: ELECTRICAL AND MAGNETIC PROPERTIES OF MATTER PART V: MECHANICAL PROPERTIES OF MATERIALS Appendix 1: Fundamental Physical Constants Appendix 2: Unit Conversions Appendix 3:…

Advanced Physical and Chemical Molecular InteractionsMaterial Selection and PropertiesHeat Transfer and Numerical Methods

Solubility, in Supercritical Carbon Dioxide, of Paraffin Waxes Used as Binders for Low-Pressure Injection Molding

Thierry Chartier、Eric Delhomme、Jean François Baumard 等 6 位作者1999-03-17Industrial & Engineering Chemistry Research

Paraffin waxes, commonly used as binders in ceramic-forming processes, can be removed from ceramic bodies with supercritical carbon dioxide. Therefore, the solubility of three industrial paraffin waxes (melting at 42, 52, and 62 °C, respectively) in supercritical CO 2 was investigated. The concentrations of these para…

Phase Equilibria and ThermodynamicsInjection Molding Process and PropertiesPolymer Foaming and Composites

Ethyl Acetate Production from Water-Containing Ethanol Catalyzed by Supported Pd Catalysts: Advantages and Disadvantages of Hydrophobic Supports

Tzong-Bin Lin、Dong-Lin Chung、Jen-Ray Chang1999-03-17Industrial & Engineering Chemistry Research

Selective oxidation of water-containing ethanol in the presence of excess ethanol provides a one-step preparation of ethyl acetate. Acetic acid is formed from the oxidation of ethanol catalyzed by a supported Pd catalyst and is further catalytically esterified to ethyl acetate by the protons dissociated from acetic ac…

Catalytic Processes in Materials ScienceCatalysis and Hydrodesulfurization StudiesCatalysis and Oxidation Reactions

Surface-Enhanced Raman Scattering of Ultrathin Cadmium Chalcogenide Films on Gold Formed by Electrochemical Atomic-Layer Epitaxy: Thickness-Dependent Phonon Characteristics

Shouzhong Zou、Michael J. Weaver1999-03-17The Journal of Physical Chemistry B

The utility of surface-enhanced Raman scattering (SERS) for characterizing phonon and related interfacial vibrations within ultrathin semiconductor layers on gold substrates is demonstrated, specifically for cadmium chalcogenide (CdSe, CdS) films formed by electrochemical atomic layer epitaxy. The occurrence of quantu…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsSemiconductor materials and interfaces

Fluorescence Probing Investigations of the Mechanism of Formation of Organized Mesoporous Silica

R. Zana、Jörn Frasch、Michel Soulard 等 5 位作者1999-03-17Langmuir

Spectrofluorometry (pyrene and dipyrenylpropane emission spectra) and time-resolved fluorescence quenching have been used to study the effect of addition of a large excess of sodium hydroxide and sodium silicate on the properties of micelles of cetyltrimethylammonium bromide and chloride (CTAB and CTAC). The systems i…

Surfactants and Colloidal SystemsMesoporous Materials and CatalysisPorphyrin and Phthalocyanine Chemistry

Hydroformylation Reactions with Rhodium-Complexed Dendrimers on Silica

S. Christine Bourque、François Maltais、Wen‐Jing Xiao 等 7 位作者1999-03-17Journal of the American Chemical Society

Polyamidoamine dendrimers, constructed on the surface of silica, were phosphonated by using diphenylphosphinomethanol, prepared in situ, and complexed to rhodium by use of [Rh(CO) 2 Cl] 2 . Excellent selectivities, favoring the branched aldehydes obtained from aryl olefins and vinyl esters, were observed by using the…

Organometallic Complex Synthesis and CatalysisSynthetic Organic Chemistry MethodsDendrimers and Hyperbranched Polymers

Spectroscopy of Single CdSe Nanocrystallites

S. A. Empedocles、Moungi G. Bawendi1999-03-17Accounts of Chemical Research

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSpectroscopy of Single CdSe NanocrystallitesStephen Empedocles and Moungi BawendiView Author Information Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 Cite this: Acc. Chem. Res. 1999, 32, 5, 389–396Publication Date (Web):March 17, 1999Publication Hist…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsElectrochemical Analysis and Applications

Beyond Wavelets: Exactness theorems and algorithms for physical calculations

T. A. Arias、T. D. Engeness1999-03-17arXiv

This paper develops the use of wavelets as a basis set for the solution of physical problems exhibiting behavior over wide-ranges in length scale. In a simple diagrammatic language, this article reviews both the mathematical underpinnings of wavelet theory and the algorithms behind the fast wavelet transform. This art…

Materials Sciencecond-mat.stat-mech

Interpreting electrochemical noise resistance as a statistical linear polarisation resistance

Yongjun Tan1999-03-16Deakin Research Online (Deakin University)

\n\t\t\t\t\tA theoretical analysis on the electrochemical noise resistance is carried out based on basic electrochemical corrosion theory. It is proven that the noise resistance is equivalent to the polarisation resistance and is in fact a special form of linear polarisation resistance, namely statistical linear polar…

Corrosion Behavior and InhibitionHydrogen embrittlement and corrosion behaviors in metalsNon-Destructive Testing Techniques

Syntheses and Stuctures of Alkyl Peroxo Adducts of β-Diketonate Cobalt(III) Complexes and Their Role in Oxidation of Hydrocarbons and Olefin Epoxidation

Ferman A. Chavez、Jorge A. Briones、Marilyn M. Olmstead 等 4 位作者1999-03-16Inorganic Chemistry

To assess the oxidizing capacity of [Co(β-diketonate) 2 (L)OOR] complexes, four such species, namely, [Co(acac) 2 (L)(OO t Bu)] (acacH = acetylacetone; L = pyridine (py) ( 1 ), 4-methylpyridine (4-Mepy) ( 2 ), 1-methylimidazole (1-MeIm) ( 3 )) and [Co(dbm) 2 (py)(OO t Bu)] ( 4, dbmH = dibenzoylmethane), have been synt…

Metal complexes synthesis and propertiesPorphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation Mechanisms

Restricted Dynamics in Poly(ether ether ketone) As Revealed by Incoherent Quasielastic Neutron Scattering and Broad-Band Dielectric Spectroscopy

Aurora Nogales、Tiberio A. Ezquerra、F. Batallán 等 6 位作者1999-03-16Macromolecules

The molecular dynamics of semicrystalline poly(ether ether ketone) (PEEK) was studied over a broad dynamic range from 10 -1 to 10 9 Hz by combining dielectric spectroscopy (DS) and incoherent quasielastic neutron scattering (IQNS). This allowed us to characterize the polymer dynamics in the glassy, semicrystalline, an…

Material Dynamics and PropertiesPolymer Nanocomposites and PropertiesGlass properties and applications

Intrazeolitic Photochemical Charge Separation for Ru(bpy)32+−Bipyridinium System: Role of the Zeolite Structure

Marcello Vitale、Norma B. Castagnola、Nancy J. Ortins 等 6 位作者1999-03-16The Journal of Physical Chemistry B

The pore structure of zeolite Y consists of 13 Å supercages connected through 7 Å windows. This study deals with the intrazeolitic photoelectron transfer from trisbipyridyl ruthenium (II) (Ru(bpy) 3 2+ ) synthesized within zeolite Y supercages to ion-exchanged bipyridinium molecules in neighboring supercages. Three N,…

Porphyrin and Phthalocyanine ChemistryPhotochemistry and Electron Transfer StudiesElectrochemical Analysis and Applications

Host−Guest Chemistry Using an Oriented Mesoporous Host: Alignment and Isolation of a Semiconducting Polymer in the Nanopores of an Ordered Silica Matrix

Junjun Wu、Adam F. Gross、Sarah H. Tolbert1999-03-16The Journal of Physical Chemistry B

Oriented polymer/silica composites have been synthesized by incorporating the conjugated semiconducting polymer MEH-PPV into the pores of an aligned, hexagonally ordered mesoporous silica. The ordered silica framework is synthesized by a silica/surfactant coorganization process that proceeds via a silicate/surfactant…

Conducting polymers and applicationsMesoporous Materials and CatalysisPolyoxometalates: Synthesis and Applications

Photochemistry of Methanol and Methoxy Groups Adsorbed on Powdered TiO2

Chih-Chung Chuang、Chih‐Cheng Chen、Jong‐Liang Lin1999-03-16The Journal of Physical Chemistry B

The photochemistry of CH 3 OH (a) and CH 3 O (a) adsorbed on TiO 2 and the effect of O 2 have been studied by infrared spectroscopy and mass spectrometry. In the absence of O 2, CH 3 OH (a) desorbs molecularly, while CH 3 O (a) decomposes to form CH 2 O (g) under UV irradiation. The rate of CH 3 O (a) decomposition re…

Catalytic Processes in Materials Science