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Rational Design of Molecules with Large Hyperpolarizabilities. Electric Field, Solvent Polarity, and Bond Length Alternation Effects on Merocyanine Dye Linear and Nonlinear Optical Properties

I. D. L. Albert、Tobin J. Marks、Mark A. Ratner1996-01-01The Journal of Physical Chemistry

The effects of applied electric fields and solvent polarity on the linear and nonlinear optical (NLO) properties of three prototypical merocyanine (donor−conjugated pathway−acceptor) chromophores of differing architectural types are analyzed using semiempirical INDO/1 calculations in the presence of imposed static ele…

Nonlinear Optical Materials ResearchMolecular spectroscopy and chiralityChemical synthesis and pharmacological studies

Functional supramolecular materials: self-assembly of phthalocyanines and porphyrazines

Cornelus F. van Nostrum、Roeland J. M. Nolte1996-01-01Chemical Communications

Phthalocyanines and related compounds can self-assemble into columnar structures in the solid and liquid crystalline state, in Langmuir–Blodgett films and in solution. This paper presents an overview of supramolecular architectures that have been constructed using several phthalocyanine and porphyrazine building block…

Molecular Sensors and Ion DetectionPorphyrin and Phthalocyanine ChemistrySupramolecular Self-Assembly in Materials

Determination of the Backbone Dihedral Angles φ in Human Ubiquitin from Reparametrized Empirical Karplus Equations

Andy C. Wang、Ad Bax1996-01-01Journal of the American Chemical Society

The backbone dihedral angle φ in polypeptides is characterized by four different J couplings: 3 J H N H α, 3 J H N C ‘, 3 J H N C β, and 3 J H α C ‘ . E.COSY and quantitative J correlation techniques have been used to measure these couplings in the protein human ubiquitin, uniformly enriched in 13 C and 15 N. Assuming…

Protein Structure and DynamicsDNA Repair MechanismsEnzyme Structure and Function

Synthesis of PbS Nanoclusters within Block Copolymer Nanoreactors

Ravi S. Kane、Robert E. Cohen、R. Silbey1996-01-01Chemistry of Materials

We have demonstrated the synthesis of PbS nanoclusters within the microphase-separated films of diblock copolymers containing carboxylic acid units on one of the blocks. Lead was selectively sequestered into the acid containing domains by treating the polymer films with tetraethyllead, and PbS was formed by subsequent…

Quantum Dots Synthesis And PropertiesPolymer Surface Interaction StudiesNanocluster Synthesis and Applications

Polyaniline Dispersions. 6. Stabilization by Colloidal Silica Particles

Jaroslav Stejskal、Pavel Kratochvı́l、Steven P. Armes 等 8 位作者1996-01-01Macromolecules

Aniline was polymerized in the presence of ultrafine colloidal silica particles (hydrodynamic diameter 35 nm) in aqueous media and, given a sufficient silica concentration, colloidally stable polyaniline−silica particles were obtained. The particle size of the resulting dispersions was determined by both dynamic light…

Electrochemical sensors and biosensorsConducting polymers and applicationsAnalytical Chemistry and Sensors

IR study of CO adsorption on Cu-ZSM-5 and CuO/SiO 2 catalysts: σ and π components of the Cu + —CO bond

Konstantin Hadjiivanov、Margarita Kantcheva、D. Klissurski1996-01-01Journal of the Chemical Society Faraday Transactions

Adsorption of carbon monoxide on CuO/SiO2(1 wt.% CuO) and Cu-ZSM-5 (11 wt.% CuO) catalysts has been studied by IR spectroscopy. CO adsorption on CuO/SiO2 leads to formation of: (i) three kinds of unstable Cu2+—CO species detected only under equilibrium CO pressure and characterized by ν(CO) at 2216, 2199 and 2180 cm–1…

Catalytic Processes in Materials SciencePhase Equilibria and ThermodynamicsCatalysis and Oxidation Reactions

Coupled Composite CdS−CdSe and Core−Shell Types of (CdS)CdSe and (CdSe)CdS Nanoparticles

Yongchi Tian、Theresa A. Newton、Nicholas A. Kotov 等 5 位作者1996-01-01The Journal of Physical Chemistry

Addition of H 2 S and H 2 Se, in different proportions, to aqueous Cd(ClO 4 ) 2 solutions containing (NaPO 3 ) 6 led to the formation of coupled composite CdS−CdSe nanoparticles. Conversely, the sequential introduction of different amounts of H 2 S and H 2 Se (or H 2 Se and H 2 S) into aqueous Cd(ClO 4 ) 2 solutions c…

Advanced biosensing and bioanalysis techniquesQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films

Critical Transitions in the Biofabrication of Abalone Shells and Flat Pearls

Charlotte M. Zaremba、Angela M. Belcher、Monika Fritz 等 9 位作者1996-01-01Chemistry of Materials

Analyses of biopolymer/calcium carbonate composites grown on inorganic abiotic substrates implanted between the shell and the shell-secreting epithelium of live red abalones ( Haliotis rufescens ) provide detailed spatial and temporal data on the in vivo assembly process that generates the shell. X-ray diffraction and…

Bone Tissue Engineering MaterialsCalcium Carbonate Crystallization and InhibitionCephalopods and Marine Biology

Characterization of Submicron Particles of Tetragonal BaTiO3

Reza Asiaie、Weidong Zhu、Sheikh A. Akbar 等 4 位作者1996-01-01Chemistry of Materials

Barium titanate (BaTiO 3 ) powders of varying particle sizes were grown under hydrothermal conditions at a temperature of 240 °C. This was accomplished by varying the hydroxide concentration of the reaction medium as well as the time required for synthesis. The spectroscopic, thermal, and microscopic characteristics o…

Ferroelectric and Piezoelectric MaterialsDielectric materials and actuatorsMicrowave Dielectric Ceramics Synthesis

Redox Chemistry of Cu/ZSM-5

T. Beutel、János Sárkány、G.D. Lei 等 5 位作者1996-01-01The Journal of Physical Chemistry

Motivated by the unique catalytic activity of Cu/ZSM-5 in the decomposition of NO to N 2 + O 2, the redox chemistry of Cu in zeolite ZSM-5 has been studied using FTIR, TPR, EPR, and EXAFS. Isolated ions, Cu 2+, oxocations, [Cu−O−Cu] 2+, and oxide particles have been identified. Their relative abundances depend on the…

Catalytic Processes in Materials ScienceZeolite Catalysis and SynthesisCatalysis and Oxidation Reactions

Acetylenyl-Linked, Porphyrin-Bridged, Donor−Acceptor Molecules: A Theoretical Analysis of the Molecular First Hyperpolarizability in Highly Conjugated Push−Pull Chromophore Structures

Satyam Priyadarshy、Michael J. Therien、David N. Beratan1996-01-01Journal of the American Chemical Society

We describe the theoretical basis for the exceptionally large molecular first hyperpolarizabilities inherent to (5,15-diethynylporphinato)metal-bridged donor−acceptor (D−A) molecules. β values relevant for hyper-Rayleigh experiments are calculated at 1.064 and 0.830 μm for a complex with such a structure, [5-((4‘-(dim…

Porphyrin and Phthalocyanine ChemistryNonlinear Optical Materials ResearchPhotochemistry and Electron Transfer Studies

In-Situ XAFS, Photoluminescence, and IR Investigations of Copper Ions Included within Various Kinds of Zeolites. Structure of Cu(I) Ions and Their Interaction with CO Molecules

Hiromi Yamashita、Masaya Matsuoka、Kouji Tsuji 等 6 位作者1996-01-01The Journal of Physical Chemistry

The characterization of the coordination geometry of copper ions included within zeolites has been carried out with a combination of in-situ XAFS, photoluminescence, and IR measurements in order to obtain a detailed description of the formation of isolated Cu + monomers with planar 3-coordinate or linear 2-coordinate…

Catalytic Processes in Materials ScienceMesoporous Materials and CatalysisInorganic and Organometallic Chemistry

Phase combination and cross validation in iterated density-modification calculations

Kevin Cowtan、P. C. Main1996-01-01Acta Crystallographica Section D Biological Crystallography

A variety of density-modification techniques are now available for improving electron-density maps in accordance with known chemical information. This modification must, however, always be constrained by consistency with the experimental data. This is conventionally achieved by alternating cycles of map modification i…

Advanced Chemical Physics StudiesMachine Learning in Materials ScienceElectron and X-Ray Spectroscopy Techniques

Photocatalytic Decomposition of NO at 275 K on Titanium Oxides Included within Y-Zeolite Cavities: The Structure and Role of the Active Sites

Hiromi Yamashita、Ichihashi, Yuichi、Masakazu Anpo 等 6 位作者1996-01-01The Journal of Physical Chemistry

Titanium oxide species anchored in the Y-zeolite cavities by an ion-exchange method exhibits a high and unique photocatalytic reactivity for the direct decomposition of NO into N 2, O 2, and N 2 O at 275 K with a high selectivity for the formation of N 2 . The in situ photoluminescence and XAFS (XANES and FT-EXAFS) in…

Advanced Photocatalysis TechniquesCatalytic Processes in Materials ScienceGas Sensing Nanomaterials and Sensors

Pseudotetrahedral O3/2VO Centers Immobilized on the Walls of a Mesoporous, Cubic MCM-48 Support: Preparation, Characterization, and Reactivity toward Water As Investigated by51V NMR and UV−Vis Spectroscopies

Mark Morey、Anne Davidson、Hellmut Eckert 等 4 位作者1996-01-01Chemistry of Materials

The high hydroxyl content of mesoporous silicates makes it possible to use them as anchors for the attachment of transition-metal species. In the present study, three different samples corresponding to atomic V/Si ratio of 0.01, 0.05, and 0.10 have been prepared by reacting a silica-based mesoporous matrix of the cubi…

Mesoporous Materials and CatalysisPolyoxometalates: Synthesis and ApplicationsCatalysis and Oxidation Reactions

Aggregation of Tetraaryl-Substituted Porphyrins in Homogeneous Solution

Daniel L. Akins、Han-Ru Zhu、Chucai Guo1996-01-01The Journal of Physical Chemistry

Electronic absorption, fluorescence and fluorescence excitation spectra, and vibrational Raman spectra of selected homogeneous solution phase, free-base tetraaryl-substituted porphyrins specifically, tetraphenylporphine (TPPH 2 ), tetra( p -pyridyl)porphine (TPyPH 2 ), tetra( p - N -methylpyridyl)porphine (TMPyPH 2 ),…

Porphyrin and Phthalocyanine ChemistryPhotochemistry and Electron Transfer StudiesLuminescence and Fluorescent Materials

Morphological Changes during Secondary Crystallization and Subsequent Melting in Poly(ether ether ketone) as Studied by Real Time Small Angle X-ray Scattering

Ravi Verma、Hervé Marand、Benjamin S. Hsiao1996-01-01Macromolecules

In this paper, we present results of morphological studies during long time melt crystallization and subsequent melting in poly(aryl ether ether ketone) (PEEK). Morphological changes were monitored via small angle X-ray scattering (SAXS). SAXS data were analyzed via a combination of the correlation and interface distr…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Self‐Assembling Frameworks: Beyond microporous oxides

Carol L. Bowes、Geoffrey A. Ozin1996-01-01Advanced Materials

The self‐assembly of inorganic open framework structures has blossomed during the 1990s. Following a short historical summary of the field, the main features of the major classes of microporous materials—cyanide open‐frameworks, chalcogenides, polychalcogenides and thio‐pnictates—are described. The Review concludes wi…

Metal-Organic Frameworks: Synthesis and ApplicationsCrystal Structures and PropertiesPolyoxometalates: Synthesis and Applications

Formation of Ultrathin Multilayer and Hydrated Gel from Montmorillonite and Linear Polycations

Yuri Lvov、Katsuhiko Ariga、Izumi Ichinose 等 4 位作者1996-01-01Langmuir

Organized ceramic/polymer nanocomposites were designed from montmorillonite clay (Mont), cationic poly(ethylenimine) (PEI) or poly(dimethyldiallylammonium chloride) (PDDA) and proteins. Ordered multilayers with a controllable number of layers were prepared by alternate adsorption of delaminated montmorillonite (0.03 w…

Mesoporous Materials and CatalysisPolymer Surface Interaction StudiesDiatoms and Algae Research

Synthesis and Characterization of Hexagonally Packed Mesoporous Tantalum Oxide Molecular Sieves

David M. Antonelli、Jackie Y. Ying1996-01-01Chemistry of Materials

The synthesis and characterization of Ta-TMS1, a new member of a growing family of hexagonally packed transition-metal oxide mesoporous molecular sieves (termed TMS1) is described. Ta-TMS1 exhibits a hexagonal array of pores which can be varied in size from 20 to 40 Å and surface areas of over 500 m 2 /g. The thermal…

Catalytic Processes in Materials ScienceZeolite Catalysis and SynthesisMesoporous Materials and Catalysis