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1,3-Dibromo-2,4,6-trinitrobenzene (DBTNB). Crystal engineering and perfect polar alignment of two-dimensional hyperpolarizable chromophores

Praveen K. Thallapally、Gautam R. Desiraju、M. Bagieu‐Beucher 等 6 位作者2002-04-15Chemical Communications

1,3-Dibromo-2,4,6-trinitrobenzene (DBTNB), a two-dimensional charge transfer hyperpolarisable chromophore, crystallizes in the non-centrosymmetric space group C2 in perfect polar order leading to an intense powder SHG signal at 1.06 microns.

Energetic Materials and CombustionNonlinear Optical Materials ResearchSolid-state spectroscopy and crystallography

Additivity and Quantification of Dispersive Interactions-from Cyclopropyl to Nitro Groups: Measurements on Porphyrin Derivatives

Tianjun Liu、Hans‐Jörg Schneider2002-04-15Angewandte Chemie International Edition

Energy increments for van der Waal effects are determined by bond-energy measurements on over 50 guest compounds (see diagram) and can be used for prediction. Hydrophobic effects can be discounted on the basis of comparison measurements with alkylated derivatives.

Porphyrin and Phthalocyanine ChemistryMolecular Junctions and NanostructuresPhotochemistry and Electron Transfer Studies

Cyclo[8]pyrrole: A Simple-to-Make Expanded Porphyrin with No Meso Bridges This work was supported by the National Science Foundation (grant CHE 0107732 to J.L.S.). The authors would like to thank Dr. Paul Fleitz and Weijie Su (Wright Patterson Air Force Base) for recording the UV/Vis spectrum of 2 b.

Daniel Seidel、Vincent M. Lynch、Jonathan L. Sessler2002-04-15Angewandte Chemie

In einem einzigen Schritt erhält man ausgehend von Bipyrrol-Vorstufen in über 70 % Ausbeute Cyclo[8]pyrrole. Diese verkörpern eine neue Klasse von Porphyrin-Analoga und weisen die charakteristische scheibenartige Struktur der Porphyrine auf. Aus der Struktur eines solchen Cyclo[8]pyrrols im Kristall (siehe Bild) geht…

Photosynthetic Processes and MechanismsPorphyrin and Phthalocyanine ChemistryPorphyrin Metabolism and Disorders

Formulation of colored fiber blends from Friele's theoretical model

Bernadette Philips-Invernizzi、Daniel Dupont、C. Cazé2002-04-15Color Research & Application

Abstract Colored fibers can be intimately blended in suitable proportions to achieve a specific color. This kind of formulation suffers from a lack of computer‐aided tool to assist the colorist attempting to find a good recipe to reproduce a target color. In this article a color‐matching system based on the theoretica…

Textile materials and evaluationsColor Science and Applications

Plasma induced microstructural, compositional, and resistivity changes in ultrathin chemical vapor deposited titanium nitride films

Roland Kröger、M. Eizenberg、C. Marcadal 等 4 位作者2002-04-15Journal of Applied Physics

Extremely thin titanium nitride (TiN) barrier layers for Cu based interconnects were deposited using metal organic chemical vapor deposition. The effect of the subsequently performed nitrogen/hydrogen plasma treatment on the microstructure, composition, and electrical properties of these films is studied using convent…

Metal and Thin Film MechanicsSemiconductor materials and devicesCopper Interconnects and Reliability

Determination of the Fractal Characteristic of Nanofiber-Network Formation in Supramolecular Materials

Xiangyang Liu、Prashant D. Sawant2002-04-15ChemPhysChem

Fractal growth of nanofiber networks from a small-molecule organic gel has been identified and measured in situ for the first time by a new rheological method. The unique nucleation and growth mechanism promises the manipulation of the fractal structure and rheological properties of functional supramolecular materials…

Lipid Membrane Structure and BehaviorSurfactants and Colloidal SystemsSupramolecular Self-Assembly in Materials

Nanoindentation hardness and adhesion investigations of vapor deposited nanostructured diamond films

Shane A. Catledge、James Borham、Yogesh K. Vohra 等 5 位作者2002-04-15Journal of Applied Physics

The effect of changing the N2/CH4 feedgas ratio on the structure and mechanical properties of microwave plasma chemical vapor deposited diamond films grown on Ti–6Al–4V alloy substrates was investigated. The relative concentration of CH4 and N2 (in a balance of H2) was shown to strongly influence film structure, hardn…

Metal and Thin Film MechanicsDiamond and Carbon-based Materials ResearchAdvanced materials and composites

Calculation of thermodynamic, electronic, and optical properties of monoclinic Mg2NiH4

Whittier Myers、L-W. Wang、Thomas J. Richardson 等 4 位作者2002-04-15Journal of Applied Physics

Ab initio total-energy density functional theory is used to investigate the low temperature (LT) monoclinic form of Mg2NiH4. The calculated minimum energy geometry of LT Mg2NiH4 is close to that determined from neutron diffraction data, and the NiH4 complex is close to a regular tetrahedron. The enthalpies of the phas…

Rare-earth and actinide compoundsHydrogen Storage and MaterialsSuperconductivity in MgB2 and Alloys

Nanoindentation-induced deformation of Ge

J. E. Bradby、J. S. Williams、J. Wong‐Leung 等 5 位作者2002-04-15Applied Physics Letters

The deformation mechanisms of crystalline (100) Ge were studied using nanoindentation, cross sectional transmission electron microscopy (XTEM) and Raman microspectroscopy. For a wide range of indentation conditions using both spherical and pointed indenters, multiple discontinuities were found in the force–displacemen…

Metal and Thin Film MechanicsDiamond and Carbon-based Materials ResearchAdvanced Surface Polishing Techniques

Optical and luminescence properties of Sm3+-doped cadmium–aluminum–silicate glasses

Hai Lin、Edwin Yue‐Bun Pun、Lingyu Huang 等 4 位作者2002-04-15Applied Physics Letters

Sm 3+ -doped cadmium–aluminum–silicate glasses (CdO–Al2O3–SiO2) have been fabricated and characterized optically. Intense visible lights and near-infrared emissions were observed under ultraviolet light and 488 nm laser excitation. The density, refractive index, optical absorption, Judd–Ofelt parameters, and spontaneo…

Luminescence Properties of Advanced MaterialsGlass properties and applicationsSolid State Laser Technologies

Effects of fluorine on structure, structural relaxation, and absorption edge in silica glass

Kazuya Saito、Akira J. Ikushima2002-04-15Journal of Applied Physics

The effects of fluorine (F) doping on silica glass structure, structural relaxations, and vacuum ultraviolet (VUV) absorption edge were investigated by the infrared and vacuum ultraviolet absorption measurements. Linewidth of 2260 cm−1 absorption band, which is one of the good indicators of structural disorder, decrea…

Glass properties and applicationsThin-Film Transistor TechnologiesSilicon Nanostructures and Photoluminescence

Phase transition at low temperature in NaNbO3 ceramic

Silvania Lanfredi、M. H. Lente、J. A. Eiras2002-04-15Applied Physics Letters

The electric permittivity of the sodium niobate ceramic was investigated in the temperature range from 15 up to 900 K, at frequencies from 100 Hz to 1 MHz. Three anomalies were found in the permittivity curve. A phase transition for NaNbO3 was assigned to anomaly at around 280 K, while other two ones have previously b…

Ferroelectric and Piezoelectric MaterialsAcoustic Wave Resonator TechnologiesMicrowave Dielectric Ceramics Synthesis

Sulfonation of polysulfones: Suitability of the sulfonated materials for asymmetric membrane preparation

Jean‐François Blanco、Q.T. Nguyen、Pierre Schaetzel2002-04-15Journal of Applied Polymer Science

Abstract The effect of the starting polymer on the reaction of sulfonation of polysulfones was investigated. When concentrated sulfuric acid is used as the sulfonation reagent in an organic solvent‐free reaction, a polymer degradation equally occurs, leading to a decrease in the yield of product recovery. Poly(ether s…

Fuel Cells and Related MaterialsInorganic and Organometallic ChemistryThermal and Kinetic Analysis

Electronic Properties of the Silver–Silver Chloride Cluster Interface

Stephan Glaus、Gion Calzaferri、Roald Hoffmann2002-04-15Chemistry - A European Journal

The objective of this study was to gain insight into the electronic structure of silver-silver chloride cluster composites and especially into the metal-semiconductor interface. For this purpose a theoretical study of (AgCl)(n) (n=4, 32, 108, 192, and 256), of Ag(m) (m=1-9, 30, 115, 276, and 409), and of the cluster c…

Gold and Silver Nanoparticles Synthesis and ApplicationsNanocluster Synthesis and ApplicationsNanomaterials for catalytic reactions

Cavity-Directed, Highly Stereoselective [2+2] Photodimerization of Olefins within Self-Assembled Coordination Cages This work was supported by the Core Research for Evolutional Science and Technology (CREST) project of the Japan Science and Technology Corporation (JST). M.Y. thanks the Japan Society for the Promotion of Science (JSPS) for a fellowship.

Michito Yoshizawa、Yoshihisa Takeyama、Takahiro Kusukawa 等 4 位作者2002-04-15Angewandte Chemie

Perfekt in Position gebracht für die [2+2]-Photodimerisierung werden Olefine in selbstorganisierten Koordinationskäfigen aus sechs Metallionen und vier dreizähnigen Liganden. In diesen gefäßartigen Nanokäfigen ließ sich die Dimerisierung von Acenaphthylenen und Naphthochinonen quantitativ, schnell und mit sehr hoher R…

Porphyrin and Phthalocyanine ChemistryCatalysis and Oxidation ReactionsMachine Learning in Materials Science

An Azulene Analogue of the Tripyrranes and Carbaporphyrinoids Therefrom

Shelley R. Graham、Denise A. Colby、Timothy D. Lash2002-04-15Angewandte Chemie International Edition

A back-to-front synthesis of azuliporphyrins from an azulitripyrrane (1) has been developed. This methodology has allowed the first rational synthesis of the dicarbaporphyrinoid system 2.

Photosynthetic Processes and MechanismsPorphyrin and Phthalocyanine ChemistryPhotodynamic Therapy Research Studies

Particle size and magnetic field dependent resistivity and thermoelectric power of La0.5Pb0.5MnO3 above and below metal–insulator transition

Aritra Banerjee、Sudipta Pal、S. Bhattacharya 等 5 位作者2002-04-15Journal of Applied Physics

The effect of particle size on the transport properties (resistivity and thermopower) of La0.5Pb0.5MnO3 has been investigated both in the presence and in the absence of magnetic field B=0.0–1.5 T (maximum). Grain size, dc conductivity; and the metal–insulator transition temperature Tp of the sample increase with incre…

Advanced Thermoelectric Materials and DevicesMagnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter Physics

Synthesis and Self-Assembling Properties of Polymerizable Organogelators

Guijun Wang、Andrew D. Hamilton2002-04-15Chemistry - A European Journal

In this paper we report the development of a family of polymerizable urea derivatives that are gelators for organic solvents. The design involves amino-acid-based urea derivatives containing methacrylate functional groups. Several of the bis-ureas show excellent gelation properties in a variety of organic solvents at…

Chemical Synthesis and AnalysisSupramolecular Self-Assembly in MaterialsPolydiacetylene-based materials and applications

Lateral thermal expansion of cellulose Iβ and IIII polymorphs

Masahisa Wada2002-04-15Journal of Polymer Science Part B Polymer Physics

Abstract Measurements of the thermal expansion coefficients (TECs) of cellulose crystals in the lateral direction are reported. Oriented films of highly crystalline cellulose I β and III I were prepared and then investigated with X‐ray diffraction at specific temperatures from room temperature to 250 °C during the hea…

Natural Fiber Reinforced CompositesAdvanced Cellulose Research StudiesLignin and Wood Chemistry

Transport and mechanical properties of blends of poly(ϵ‐caprolactone) and a modified montmorillonite‐ poly(ϵ‐caprolactone) nanocomposite

Giuliana Gorrasi、Mariarosaria Tortora、Vittoria Vittoria 等 5 位作者2002-04-15Journal of Polymer Science Part B Polymer Physics

Abstract The structural characterization and transport properties of blends of a commercial high molecular weight poly(ϵ‐caprolactone) with different amounts of a montmorillonite‐poly(ϵ‐caprolactone) nanocomposite containing 30 wt % clay were studied. Two different vapors were used for the sorption and diffusion analy…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties