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Excited States of the Lutetium Phthalocyanine Trimer: Semiempirical Molecular Orbital and Localized Orbital Study

Naoto Ishikawa、Youkoh Kaizu1996-01-01The Journal of Physical Chemistry

The electronic structure of the lutetium triple-decker phthalocyanine (Pc) trimer is studied by semiempirical quantum chemical calculation. The study employs a localized orbital (LO) basis set which is obtained by a transformation of the trimer's canonical MOs, such that the orbital populations on a certain ligand are…

Magnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryPhotochemistry and Electron Transfer Studies

Reactivity of the Coordinated Hydroperoxo Ligand

Shaukat A. Mirza、Bernard Bocquet、Chantal Robyr 等 5 位作者1996-01-01Inorganic Chemistry

The reactivity of the hydroperoxo complex [Co(CN)(5)OOH](3)(-) has been studied in aqueous solution. The complex undergoes acid-catalyzed aquation (k = 1.89(5) x 10(-)(2) s(-)(1), pK(a) = 5.21(4), T = 20 degrees C, I = 0.1 M). Assuming an I(d) mechanism, this allows the relative affinity for Co(III) to be deduced as H…

Magnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation Mechanisms

Growth of lead selenide thin films by the successive ionic layer adsorption and reaction (SILAR) technique

Tapio Kanniainen、Seppo Lindroos、Jarkko Ihanus 等 4 位作者1996-01-01Journal of Materials Chemistry

This paper describes the growth of lead selenide (PbSe) thin films on glass and on ITO-covered glass substrates at room temperature under normal pressure utilising the successive ionic layer adsorption and reaction (SILAR) technique. Aqueous precursor solutions, lead acetate complexed with triethanolamine and sodium s…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsAnalytical Chemistry and Sensors

Photoelectrochemical Properties of Poly(3-alkylthiophene) Films in Aqueous Solution

Ola A. El-Rashiedy、Steven Holdcroft1996-01-01The Journal of Physical Chemistry

The photoelectrochemical properties of π-conjugated poly(3-hexylthiophene) films in aqueous solution are presented. Application of potential biases more negative than +0.3 V (SCE) to the polymer film immersed in an aqueous electrolyte gives rise to a depletion layer at the polymer/solution interface. Photoexcitation o…

Organic Electronics and PhotovoltaicsPerovskite Materials and ApplicationsConducting polymers and applications

Electric-field gradients atCd111in delafossite oxidesABO2(A=Ag, Cu;B=Al, Cr, Fe, In, Nd, Y)

R. N. Attili、M. Uhrmacher、Klaus Lieb 等 6 位作者1996-01-01Physical review. B, Condensed matter

The electric-field gradient of $^{111}\mathrm{In}$(EC${)}^{111}$Cd nuclei at cation sites in the delafossites ${\mathit{A}}^{+1}$${\mathit{B}}^{+3}$${\mathrm{O}}_{2}$ have been measured using perturbed angular correlation spectroscopy. The radioactive $^{111}\mathrm{In}$ tracers were introduced into the samples via io…

ZnO doping and propertiesCopper-based nanomaterials and applicationsElectronic and Structural Properties of Oxides

High Nitrogen Steels. Sensitization Behaviour and Corrosion Resistance of Austenitic Stainless Steels Alloyed with Nitrogen and Manganese.

R. F. A. Jargelius‐Pettersson1996-01-01ISIJ International

The influence of alloying levels in the range (in mass%) of 0.01-0.5 nitrogen and 0.2-10 manganese on pitting corrosion resistance has been investigated for austenitic stainless steels with a base composition (in mass%) of 20Cr-18Ni-4.5Mo. The beneficial effect of nitrogen alloying is confirmed, while the detrimental…

Hydrogen embrittlement and corrosion behaviors in metalsWelding Techniques and Residual StressesMaterial Properties and Failure Mechanisms

Mullite (3Al2O3−2SiO2) Synthesis with Aluminosiloxanes

David R. Treadwell、Daniel M. Dabbs、I. A. Aksay1996-01-01Chemistry of Materials

High-yield mullite (3Al 2 O 3 −2SiO 2 ) precursors consist of aluminosiloxanes synthesized from mixtures of aluminum and silicon alkoxides. Atomic level mixing of the aluminum and silicon oxides is demonstrated by the low-temperature conversion (<1000 °C) of the aluminosiloxanes to phase-pure mullite. The proper selec…

Advanced ceramic materials synthesisMicrowave Dielectric Ceramics SynthesisSilicone and Siloxane Chemistry

Molecular dynamics of biaxial nematic liquid crystals

Sten Sarman1996-01-01The Journal of Chemical Physics

We devise a constraint algorithm that makes the angular velocity of the director of a liquid crystal a constant of motion. When the angular velocity is set equal to zero, a director based coordinate system becomes an inertial frame. This is a great advantage because most thermodynamic properties and time correlation f…

Liquid Crystal Research AdvancementsMaterial Dynamics and PropertiesAdvanced Thermodynamics and Statistical Mechanics

EDTA and CN - Complexing Effect on the Kinetics, Spectral Properties, and Redox Properties of Ag 1 0 and Ag 2 + in Aqueous Solution

Samy Rémita、Mehran Mostafavi、M. O. Delcourt1996-01-01The Journal of Physical Chemistry

The first steps of silver clusters nucleation have been studied by pulse radiolysis in the presence of EDTA and CN - ligands. The successive rate constants and the transient absorption spectra corresponding to Ag 1 0 and Ag 2 + have been determined. It has been found that Ag 1 0 and Ag 2 + were complexed by the ligand…

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

Bengal rose@dendritic box

Johan F. G. A. Jansen、E. W. Meijer、Ellen M. M. De Brabander ‐ Van Den Berg1996-01-01Macromolecular Symposia

Abstract Bengal Rose was succesfully encapsulated and liberated from a dendritic box. Bengal Rose@DAB‐ dendr ‐(NH‐ t ‐BOC‐L‐Phe) 64 was investigated with several different techniques such as ultraviolet, circular dichroism and fluorescence spectroscopy.

Mass Spectrometry Techniques and ApplicationsChemical Synthesis and AnalysisDendrimers and Hyperbranched Polymers

The changing face of arene oxide–oxepine chemistry

Derek R. Boyd、Narain D. Sharma1996-01-01Chemical Society Reviews

D. R. Boyd and N. D. Sharma, Chem. Soc. Rev., 1996, 25, 289 DOI: 10.1039/CS9962500289

Porphyrin and Phthalocyanine ChemistryFullerene Chemistry and ApplicationsLanthanide and Transition Metal Complexes

Further Development of a Reaction Generator in the SOPHIA System for Organic Reaction Prediction. Knowledge-Guided Addition of Suitable Atoms and/or Atomic Groups to Product Skeleton

Hiroko Satoh、Kimito Funatsu1996-01-01Journal of Chemical Information and Computer Sciences

A reaction generator in SOPHIA ( for reaction by ) generates all possible product structures by reconnections of free bonds obtained by cutting all bonds of a reaction site which is automatically perceived in the input reactantt structure and additions of atoms and/or atomic groups (AAG) to the free bonds. The reactio…

Asymmetric Hydrogenation and CatalysisCatalysis and Oxidation ReactionsMachine Learning in Materials Science

Ikaite from cold spring water at Shiowakka, Hokkaido, Japan.

Toshihiko Ito1996-01-01JOURNAL OF MINERALOGY PETROLOGY AND ECONOMIC GEOLOGY

In a calcareous sinter precipitated from cold saline spring water at Shiowakka, Hokkaido, Japan, ikaite (CaCO3·6H2O) was found in winter, subsequent to the finding of monohydrocalcite with calcite in the previous summer. The formation of the ikaite was favored by low temperature, while that of the monohydrocalcite was…

Paleontology and Stratigraphy of FossilsMethane Hydrates and Related PhenomenaCalcium Carbonate Crystallization and Inhibition

Gold oxide as precursor to gold/silica nanocomposites

L. Maya、M. Paranthaman、Thomas Thundat 等 4 位作者1996-01-01Journal of Vacuum Science & Technology B Microelectronics and Nanometer Structures Processing Measurement and Phenomena

Gold oxide films were prepared by reactive sputtering of pure gold in an oxygen plasma. These films were characterized by chemical and physical means to better understand the behavior of this metastable compound. Gold oxide, Au2O3, decomposes into the elements at 350 °C. It does not react with dry carbon dioxide but d…

Electron and X-Ray Spectroscopy Techniques

Lochkorrosion an Nichtrostenden Stählen

Hubert Gräfen、D. Kuron1996-01-01Materials and Corrosion

Abstract Nichtrostende Stähle können in halogenidhaltigen Medien Schädigungen durch Lochkorrosion erleiden, die ihren Einsatz in der Praxis zu einem Risiko machen. Zum Verständnis der Prozesse, die zur Lochkorrosion, zur Lochbildung und zum Lochwachstum führen, wurden in den letzten Jahren umfangreiche Untersuchungen…

Corrosion Behavior and InhibitionHydrogen embrittlement and corrosion behaviors in metalsConcrete Corrosion and Durability

Oscillatory behaviour of Pd/Al 2 O 3 , Pd–Pt/Al 2 O 3 and Pd/Al 2 O 3 –CeO 2 in the oxidation of methane

Youquan Deng、Thomas G. Nevell1996-01-01Faraday Discussions

The reaction of methane (2%) with oxygen (2.8–4.6%) in nitrogen at atmospheric pressure over Pd/Al2O3, Pd–Pt/Al2O3 and Pd/Al2O3–CeO2 at temperatures in the range 250–600 °C has been studied using catalytic microcalorimeters (beads) with simultaneous analysis of gas mixtures by FTIR. With close-to-stoichiometric gas mi…

Advanced Chemical Physics StudiesCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions

Comparison of the Long-Time Corrosion Behavior of Certain Zr Alloys in PWR, BWR, and Laboratory Tests

F. Garzarolli、Y Broy、RA Busch1996-01-01OpenAlex

Laboratory corrosion tests have always been an important tool for Zr alloy development and optimization. However, it must be known whether a test is representative for the application in-reactor. To shed more light on this question, coupons of several Zr alloys were exposed under isothermal conditions in all or most o…

Nuclear reactor physics and engineeringHydrogen embrittlement and corrosion behaviors in metalsNuclear Materials and Properties

(4-Amino-2,6-dichlorophenyl)- bis(2,4,6-trichlorophenyl)methyl Radical: A New Constituent of Organic Magnetic Materials

Luis Teruel、Ll. Viadel、Julieta Carilla 等 8 位作者1996-01-01The Journal of Organic Chemistry

ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXT(4-Amino-2,6-dichlorophenyl)- bis(2,4,6-trichlorophenyl)methyl Radical: A New Constituent of Organic Magnetic MaterialsL. Teruel, Ll. Viadel, J. Carilla, Ll. Fajarí, E. Brillas, J. Sañé, J. Rius, and L. JuliáView Author Information Departament de Materials Orgànics Halogenats,…

Metal complexes synthesis and propertiesMagnetism in coordination complexesElectron Spin Resonance Studies

Martensitic Transformation Behavior of a Shape Memory Ti&ndash;40.5Ni&ndash;10Cu Alloy Affected by the C11<I><SUB>b</SUB></I>-type Precipitates

Takashi Fukuda、Makoto Kitayama、Tomoyuki Kakeshita 等 4 位作者1996-01-01Materials Transactions JIM

Effect of aging at 873 K on the two-step B2→B19→B19′ transformation of a shape memory Ti–40.5Ni–10Cu alloy was studied. It was found that the start temperature of the B2→B19 transformation and that of the B19→B19′ transformation increase with increasing aging time. The start temperatures of the reverse transformations…

Microstructure and Mechanical Properties of SteelsShape Memory Alloy TransformationsTitanium Alloys Microstructure and Properties

Effects of Bacterial Coexistence on the Growth of a Marine Diatom <i>Chaetoceros gracilis</i>

Suminto、Kazutsugu Hirayama1996-01-01Fisheries Science

The promotive and suppressive effects of coexistence of bacterial strains on the growth of a diatom Chaetoceros gracilis were investigated under laboratory conditions. Tested bacterial strains were isolated from the diatom mass culture tanks at a kuruma prawn farm. To evaluate the effect of each bacterial strain, the…

Microbial Community Ecology and PhysiologyDiatoms and Algae Research