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Theoretical determination of the molecular and solid-state electronic structures of phthalocyanine and largely extended phthalocyanine macrocycles

Enrique Ortı́、R. Crespo、M.C. Piqueras 等 4 位作者1996-01-01Journal of Materials Chemistry

The molecular and solid-state electronic structures of metal-free phthalocyanine and a series of linearly benzoannulated phthalocyanines have been investigated using the valence effective Hamiltonian (VEH) quantum-chemical method. Geometry optimizations show that, from the molecular structure standpoint, phthalocyanin…

Electrocatalysts for Energy ConversionPorphyrin and Phthalocyanine ChemistryTransition Metal Oxide Nanomaterials

The relationship of microstructure and magnetic properties in cold-rolled 6.5% Si-Fe alloy

X.F. Bi、Yuki Tanaka、Kaoru Sato 等 6 位作者1996-01-01IEEE Transactions on Magnetics

The effect of microstructures on the magnetic properties in the 6.5% Si-Fe alloy was studied. The alloy was subjected to two patterns of heat treatments, and the microstructures were observed by means of TEM. The alloy after an appropriate treatment has shown excellent soft magnetic properties, with the maximum permea…

Microstructure and Mechanical Properties of SteelsMetallic Glasses and Amorphous AlloysMagnetic Properties and Applications

Crystallization Kinetics as a Probe of the Dynamic Network in Lightly Sulfonated Syndiotactic Polystyrene Ionomers

E. Bruce Orler、Bret H. Calhoun、Robert B. Moore1996-01-01Macromolecules

The effect of alkali metal counterion type on the crystallization kinetics of sulfonated syndiotactic polystyrene with ion contents of 1.4 mol % was investigated. For crystallization temperatures less than 180 °C, the rate of crystallization was independent of counterion type. In contrast, for temperatures greater tha…

Polymer crystallization and propertiesFuel Cells and Related MaterialsConducting polymers and applications

2,4-Bis[4-(N,N-dibutylamino)phenyl] squaraine: X-ray crystal structure of a centrosymmetric dye and the second-order non-linear optical properties of its non-centrosymmetric Langmuir–Blodgett films

Geoffrey J. Ashwell、Gurmit S. Bahra、Christopher R. Brown 等 6 位作者1996-01-01Journal of Materials Chemistry

Crystals of the title compound exist as a green monoclinic phase [space group P21/c with a= 9.046(1), b= 19.615(2), c= 9.055(1)Å, β= 116.107(5)°, Z= 2] and a purple triclinic phase. The chromophore is both planar and centrosymmetric and its dimensions indicate a tendency towards a quinoidal structure with extensive de…

Lipid Membrane Structure and BehaviorPorphyrin and Phthalocyanine ChemistryNonlinear Optical Materials Research

Orientation and Restricted Rotation of Lopsided Aromatic Ligands. Octahedral Complexes Derived from cis-RuCl2(Me2SO)4

Enzo Alessio、Mario Calligaris、Marian Iwamoto 等 4 位作者1996-01-01Inorganic Chemistry

The solution and solid state structures of two octahedral Ru(II) complexes, cis,cis,cis-RuCl(2)(Me(2)SO)(2)(py)(Me(3)Bzm) (Me(3)Bzm = 1,5,6-trimethylbenzimidazole, py = pyridine) (1) and cis,cis,cis-RuCl(2)(Me(2)SO)(2)(Me(3)Bzm)(2) (2), were compared. 2, the subject of a preliminary report, is described in more detail…

Metal complexes synthesis and propertiesMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Synthesis, Structural Studies, and Magnetic Exchange Interactions in Low-Valent Manganese Alkoxide Cubes

Laura E. Pence、Andréa Caneschi、Stephen J. Lippard1996-01-01Inorganic Chemistry

Tetranuclear manganese(II) alkoxide complexes were prepared from the reaction of MnCl2, a β-diketone, and lithium alkoxide in alcohol. Single-crystal X-ray diffraction studies revealed the presence of a {Mn4(OR)4}4+ core structure with the metals occupying alternating vertices of a cube. The temperature-dependent magn…

Metal-Organic Frameworks: Synthesis and ApplicationsMagnetism in coordination complexesPolyoxometalates: Synthesis and Applications

Self-association of a 1,3,4-oxadiazole-containing dendrimer

Arno Kraft1996-01-01Chemical Communications

A first-generation dendrimer, which consists of electron-deficient benzene and oxadiazole rings, forms π-stacks in solution as evidenced by NMR and vapour-pressure osmometry.

Luminescence and Fluorescent MaterialsDendrimers and Hyperbranched PolymersSynthesis and properties of polymers

The Formation of Se2-: A New Resonance Raman Feature in the Photochemistry of Zeolite-Encapsulated Selenium

Andreas Goldbach、Lennox E. Iton、M. Grimsditch 等 4 位作者1996-01-01Journal of the American Chemical Society

This Raman spectroscopic study on selenium incorporated in Nd−Y zeolite presents new aspects of the photochemistry of selenium. The formation of the Se 2 - radical anion has been established from its resonance Raman spectrum, consisting of ten almost equidistant bands between 328 and 3220 cm - 1 on the low-energy side…

Glass properties and applicationsPhase-change materials and chalcogenidesThermography and Photoacoustic Techniques

Assembly of Amphiphilic Phenylacetylene Macrocycles at the Air−Water Interface and on Solid Surfaces

Ashok S. Shetty、Pamela R. Fischer、Kurt F. Stork 等 5 位作者1996-01-01Journal of the American Chemical Society

The assembly of amphiphilic phenylacetylene macrocycles (PAMs), with molecular structures that vary in terms of the nature and orientation of their pendant functional groups, has been studied on a Langmuir−Blodgett trough and after transfer onto solid substrates. These monolayer films are of interest as two-dimensiona…

Lipid Membrane Structure and BehaviorSynthesis and Properties of Aromatic CompoundsSupramolecular Self-Assembly in Materials

The Synthesis of η2-β-Vinylpyrrole Complexes and Their Conversion to Highly Substituted Indoles

L. Mark Hodges、Michael L. Spera、Marcus W. Moody 等 4 位作者1996-01-01Journal of the American Chemical Society

A series of 4,5-η 2 -Os(II)pentaammine-3-vinylpyrrole complexes are synthesized from the corresponding 1-methylpyrrole complex by an electrophilic addition at the β-carbon, C(3), of the pyrrole ring. Four independent synthetic routes to β-vinylpyrrole complexes are described, each introducing different functionality o…

Porphyrin and Phthalocyanine ChemistryFluorine in Organic ChemistryOxidative Organic Chemistry Reactions

Endothelial cell seeding improves patency of synthetic vascular grafts: manual versus automatized method

M PASIC、W Müller-Glauser、L VONSEGESSER 等 6 位作者1996-01-01European Journal of Cardio-Thoracic Surgery

Lack of an endothelial surface is the most important variable causing the relatively poor patency of synthetic bypass grafts. This study was designed to investigate the effect of endothelial cell seeding on small-diameter Dacron grafts seeded with microvascular endothelial cells from omentum, and to evaluate two metho…

Aortic Disease and Treatment ApproachesElectrospun Nanofibers in Biomedical ApplicationsCardiac and Coronary Surgery Techniques

Study of ‘wet’ polymer latex systems in environmental scanning electron microscopy: some imaging considerations

Paul Meredith、Athene M. Donald1996-01-01Journal of Microscopy

Environmental scanning electron microscopy has been used to study ‘wet’ polymer latex films. Comparison of the results obtained by imaging in nitrogen and nitrous oxide gas and water vapour has provided insight into a variety of different contrast phenomena. Notably, it was found that edge definition and fine features…

Corrosion Behavior and InhibitionAdvancements in Photolithography TechniquesElectron and X-Ray Spectroscopy Techniques

Deformation and Relaxation Processes of Mono- and Bilayer Domains of Liquid Crystalline Langmuir Films on Water

Jörg Läuger、Channing R. Robertson、Curtis W. Frank 等 4 位作者1996-01-01Langmuir

Flow deformation and relaxation of mono- and bilayer domains of a thermotropic liquid crystal at the air−water interface have been studied by means of simultaneous application of extensional flow fields and Brewster angle microscopy measurements. In an extentional flow, mono- and bilayer domains are found to be distor…

Liquid Crystal Research AdvancementsMaterial Dynamics and PropertiesSurfactants and Colloidal Systems

Communication between Porphyrin Rings in the Butadiyne-Bridged Dimer Ni(OEP)(μ-C4)Ni(OEP): A Density Functional Study

Robert Stranger、John E. McGrady、Dennis P. Arnold 等 5 位作者1996-01-01Inorganic Chemistry

The electronic structure and spectra of a family of nickel porphyrin complexes are analyzed using approximate density functional theory (DFT). The three complexes, Ni(OEP), Ni(OEP-C 4 SiMe 3 ), and Ni(OEP)(μ-C 4 )Ni(OEP) represent a logical increase in complexity starting from a simple metalloporphyrin. The spectra of…

Magnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryMolecular Junctions and Nanostructures

Effects of Radiation on Materials: 17th International Symposium

D.S. Gelles、RK Nanstad、AS Kumar 等 4 位作者1996-01-01OpenAlex

Description STP 1270 features the latest information from the world's leading experts on how radiation impacts a wide range of metals. This extensive volume includes 68 peer-reviewed papers organized into 8 comprehensive categories: Modeling of Controlling Mechanisms -- 8 papers explore mechanisms controlling the beha…

Radiation Shielding Materials Analysis

Surface-Chlorinated Ceria and Chlorine-Containing Reduced Pd/CeO2 Catalysts. A FTIR Study

Ahmed Badri、Claude Binet、Jean‐Claude Lavalley1996-01-01The Journal of Physical Chemistry

Adsorption of CO, used as infrared molecule probe, was performed at room temperature or at low temperature (140 K), on either chlorine-free or chlorine-containing ceria, in order to investigate both the chlorine effect and the ceria reduction state. On ceria and Pd/ceria catalysts, chlorine acts as an electronegative…

Catalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsNanomaterials for catalytic reactions

A Class of Halide-Supported Trinuclear Nickel Clusters [Ni3(μ3-L)(μ3-X)(μ2-dppm)3]n+(L = I-, Br-, CO, CNR; X = I-, Br-;n= 0, 1; dppm = Ph2PCH2PPh2): Novel Physical Properties and the Fermi Resonance of Symmetric μ3-η1Bound Isocyanide Ligands

David Morgenstern、Gregory M. Ferrence、John W. Washington 等 8 位作者1996-01-01Journal of the American Chemical Society

The dihalide capped trinuclear nickel clusters Ni 3 (μ 3 -X) 2 (μ 2 -dppm) 3 (X = I ( 1a ), Br ( 1b ); dppm = Ph 2 PCH 2 PPh 2 ) were synthesized and converted to their respective monocations [Ni 3 (μ 3 -X) 2 (μ 2 -dppm) 3 ] + (X = I ( 1a + ), Br ( 1b + )) via a single electron oxidation. Clusters 1a and 1a + were cha…

Organometallic Complex Synthesis and CatalysisMagnetism in coordination complexesNanocluster Synthesis and Applications

Rheological Model for the Mechanical Properties of Myofibrillar Protein-Based Films

Bernard Cuq、Nathalie Gontard、J.L. Cuq 等 4 位作者1996-01-01Journal of Agricultural and Food Chemistry

A phenomenological rheological model was developed to describe the molecular interactions and predict the mechanical properties of fish myofibrillar protein-based films, irrespective of their thickness. The model was built of a parallel array of Maxwell and elastic elements in which a fracture element was introduced.…

Nanocomposite Films for Food PackagingElectrospun Nanofibers in Biomedical ApplicationsSilk-based biomaterials and applications

Effects of Cross-Linking on the Morphology of Structured Latex Particles. 1. Theoretical Considerations

Yvon G. Durant、Donald C. Sundberg1996-01-01Macromolecules

Cross-linking of the seed latex polymer introduces elastic forces into the thermodynamic analysis of the morphology of composite particles. By determining the elastic storage energy necessary to maintain a deformation within the seed latex particle (as in an occlusion of second-stage polymer), it can be combined with…

Polymer crystallization and propertiesAdvanced Polymer Synthesis and CharacterizationPickering emulsions and particle stabilization

Novel Thermally Stable Polymer Materials for Second-Order Nonlinear Optics

Mikael Trollsås、F. Sahlén、Ulf W. Gedde 等 11 位作者1996-01-01Macromolecules

A novel method of preparing thermally stable thin films with intrinsic second-order nonlinear optical activity is described. Design and synthesis yielded new ferroelectric bifunctional liquid crystalline acrylate monomer mixtures with a fast electro-optical response in the chiral smectic C (SmC*) phase. The ferroelect…

Liquid Crystal Research AdvancementsSynthesis and Properties of Aromatic CompoundsMolecular spectroscopy and chirality