Dennis P. Arnold、Regan D. Hartnell、Graham A. Heath 等 5 位作者2002-03-12Chemical Communications
The pi-radical cation and anion of the dizinc complex of a bis(triarylporphyrinyl)butadiyne, 1+ and 1-, respectively, display remarkably similar near-IR signatures, with intense bands near 1000 and 2500 nm, as predicted by the appropriate frontier-orbital model for inter-porphyrin coupling across the conjugated bridge.
Porphyrin and Phthalocyanine ChemistryPhotochemistry and Electron Transfer StudiesLuminescence and Fluorescent Materials
Alessandra Raffa、P. Ballone2002-03-12Physical review. B, Condensed matter
The equilibrium structure of ${\mathrm{ErO}}_{n}$ $(n<~6)$ complexes in crystalline silicon has been investigated by density-functional computations. Two different geometries have been considered, corresponding to the substitutional and tetrahedral interstitial site for erbium. All atomic coordinates have been opti…
High-pressure geophysics and materialsGlass properties and applicationsSilicon Nanostructures and Photoluminescence
Krystyna Rachlewicz、Lechosław Latos‐Grażyński、Emanuel Vogel 等 5 位作者2002-03-12Inorganic Chemistry
Five-coordinate iron(III) 2,7,12,17-tetrapropylporphycene (TPrPc)Fe(III)X (X = C(6)H(5)O(-), Cl(-), Br(-), I(-), ClO(4)(-)) complexes have been investigated. The (1)H NMR spectra demonstrate downfield shifts for pyrrole resonances [(TPrPc)Fe(III)(C(6)H(5)O), 65.3 ppm; (TPrPc)Fe(III)Cl, 28.5 ppm] but large upfield ones…
Magnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation Mechanisms
David Grosso、Florence Babonneau、Galo J. A. A. Soler‐Illia 等 5 位作者2002-03-12Chemical Communications
The structural evolution taking place during CTAB/TEOS based solvent evaporation-induced thin film formation has been followed by in-situ time-resolved SAXS; this shows that the final Pm3n cubic structure is formed via the formation of lamellar and hexagonal intermediate structures within the water rich evaporation re…
Catalytic Processes in Materials SciencePhotonic Crystals and ApplicationsMesoporous Materials and Catalysis
Talal F. Al‐Azemi、Kirpal S. Bisht2002-03-12Journal of Polymer Science Part A Polymer Chemistry
Abstract The ring‐opening polymerization of a monomer containing a free carboxylic acid group is reported for the first time. The monomer, 5‐methyl‐5‐carboxyl‐1,3‐dioxan‐2‐one (MCC), was copolymerized with trimethylene carbonate (TMC) in an enzymatic ring‐opening polymerization conducted in bulk at 80 °C. The low‐melt…
Advanced Polymer Synthesis and Characterizationbiodegradable polymer synthesis and propertiesCarbon dioxide utilization in catalysis
W. R. Branford、Mark Green、D. A. Neumann2002-03-12Chemistry of Materials
The structure and electronic properties of a series of Mn IV spinel oxides, with the general formula, AM 0.5 Mn 1.5 O 4 (A = Li, Cu; M = Ni, Mg), are investigated. These materials form an interesting analogy to pyrochlore structures that show colossal magnetoresistance properties. Studies of all the compounds show spo…
Magnetic and transport properties of perovskites and related materialsMultiferroics and related materialsAdvanced Condensed Matter Physics
Abhishek Dey、Abhik Ghosh2002-03-12Journal of the American Chemical Society
We present here a first theoretical characterization of iron(V) (S = (3)/(2)) and iron(VI) (S = 0) porphyrin intermediates. The Fe(V) calculations exhibit exceptionally narrow convergence radii and we believe that for this reason they have long eluded researchers working on high-valent iron intermediates. The Fe(V)-N(…
Porphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation MechanismsPorphyrin Metabolism and Disorders
T. Makino、Kentaro Tamura、C. H. Chia 等 7 位作者2002-03-12Physical review. B, Condensed matter
We have studied the evolution of optical absorption spectra in eight samples of n type ZnO:Al as a function of excess electron concentration up to $6.7\ifmmode\times\else\texttimes\fi{}{10}^{20} {\mathrm{cm}}^{\ensuremath{-}3}$ at 300 K. The spectral assignment is examined by taking the many-body effect due to the pre…
ZnO doping and propertiesCopper-based nanomaterials and applicationsElectronic and Structural Properties of Oxides
Satoshi Okamoto、Sumio Ishihara、Sadamichi Maekawa2002-03-12Physical review. B, Condensed matter
The interactions between ${e}_{g}$ orbitals in neighboring sites are investigated in ${\mathrm{LaMnO}}_{3}$ by taking into account virtual exchange of electrons and phonons. The spin and orbital ordering temperatures and the spin-wave dispersion relation are calculated. We find that the orbital ordering is mainly caus…
Magnetic and transport properties of perovskites and related materialsRare-earth and actinide compoundsAdvanced Condensed Matter Physics
Martin Schneider、Jérôme P. Claverie、C. Graillat 等 4 位作者2002-03-12Journal of Applied Polymer Science
Abstract An experimental and modeling study was carried out to understand the relationship between the viscosity of a multimodal latex and its particle‐size distribution (PSD) and polymer concentration. This study illustrates the inadequacy of existing models in predicting the viscosity of complex latices. It is shown…
Polymer crystallization and propertiesbiodegradable polymer synthesis and propertiesMaterial Properties and Processing
François Diederich、Béatrice Felber2002-03-12Proceedings of the National Academy of Sciences
Dendritic microenvironments are analogous to local environments created within protein superstructures. Correspondingly, properties of functional cores such as molecular recognition and catalytic activity are profoundly influenced by the surrounding dendritic branches.
RNA Interference and Gene DeliveryChemical Synthesis and AnalysisDendrimers and Hyperbranched Polymers
David J. Price、Stuart R. Batten、Boujemaa Moubaraki 等 4 位作者2002-03-12Chemical Communications
A new manganese(III/IV) carboxylate cluster [Mn16O16(OMe)6(OAc)16(MeOH)3(H2O)3].6H2O has been structurally characterised and shown to display net antiferromagnetic coupling with preliminary evidence for single-molecule magnetic behaviour.
Metal-Organic Frameworks: Synthesis and ApplicationsMagnetism in coordination complexesPolyoxometalates: Synthesis and Applications
Eva-Lena Hult、Per Tomas Larsson、Tommy Iversen2002-03-12Holzforschung
Summary The supermolecular structure of polysaccharides in unbleached sulphite pulps and kraft pulps was investigated by CP/MAS 13 C-NMR (Cross Polarisation Magic Angle Carbon-13 Nuclear Magnetic Resonance) in combination with spectral fitting. The cellulose crystallinity was found to be higher in the kraft pulps than…
Biofuel production and bioconversionAdvanced Cellulose Research StudiesLignin and Wood Chemistry
Santo Di Bella、Ignazio L. Fragalà2002-03-12New Journal of Chemistry
The two-dimensional (2D) nonlinear optical (NLO) response of a series of dipolar donor–acceptor bis(salicylaldiminato)Ni(II) Schiff base planar coordination complexes was investigated using the INDO/SCI-SOS formalism. The in-plane 2D NLO character of this class of materials can be related to various low-energy charge-…
Magnetism in coordination complexesNonlinear Optical Materials ResearchOrganic and Molecular Conductors Research
Soo‐Hwan Jeong、Okjoo Lee、Kun‐Hong Lee 等 5 位作者2002-03-12Chemistry of Materials
Aligned multiwalled carbon nanotubes (CNTs) with good crystallinity have been obtained by cutting the CNTs grown on an anodic aluminum oxide (AAO) template by a sonication method. AAO templates were fabricated by two-step anodization of Al. After the cobalt catalyst had been electrochemically deposited at the bottom o…
Carbon Nanotubes in CompositesGraphene research and applicationsAnodic Oxide Films and Nanostructures
Oshrat Tzhayik、Prashant D. Sawant、S. Efrima 等 5 位作者2002-03-12Langmuir
We cap silver, copper, and gold nanocolloids with long-chain alkylxanthates. In comparison to thiol capping, the particles are less hydrophobic and are stable in aqueous solutions for over a month, though being less stable than the corresponding oleate-capped particles. They can be transferred into relatively polar or…
Gold and Silver Nanoparticles Synthesis and ApplicationsCopper-based nanomaterials and applicationsNanomaterials for catalytic reactions
M. O. D. Camara、A. Mauger、I. Devos2002-03-12Physical review. B, Condensed matter
The three-dimensional band structure of the III-VI layer compounds GaSe and InSe has been investigated in the tight-binding approach. The pseudo-Hamiltonian matrix elements in the ${\mathrm{sp}}^{3}{s}^{*}$ basis are fit in order to reproduce the nonlocal pseudopotential band structure, in the framework of constrained…
Chalcogenide Semiconductor Thin FilmsCrystal Structures and PropertiesSolid-state spectroscopy and crystallography
Jinlan Wang、Chengyu Fan、K. Jacobi 等 4 位作者2002-03-12The Journal of Physical Chemistry B
The steady-state rate r CO 2 of CO 2 formation from CO + O 2 on an epitaxially grown RuO 2 (110) single-crystal surface was recorded as a function of the partial pressures in the 10 -7 −10 -6 mbar range. The RuO 2 (110) surface exposes singly coordinatively unsaturated “Ru-cus” sites and 2-fold coordinatively unsatura…
Catalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsElectronic and Structural Properties of Oxides
Takashi Matsushima、René Chambón、Denis Caillerie2002-03-12International Journal for Numerical Methods in Engineering
Abstract A large strain finite element formulation based on a local second gradient plasticity model is presented. The corresponding constitutive equations were developed as a direct extension of microstructured (SIAM J. Appl. Math . 1973; 25 (3):556–575; Arch. Rational Mech. Anal . 1964; 16 :51–78) or micromorphic (I…
Microstructure and mechanical propertiesComposite Structure Analysis and OptimizationNonlocal and gradient elasticity in micro/nano structures
Reynaldo O. Lezna、Roberto Romagnoli、Norma R. de Tacconi 等 4 位作者2002-03-12The Journal of Physical Chemistry B
The cobalt hexacyanoferrate system, M h [Fe B (CN) 6 ] l, (where M is an alkali metal cation, and the subscripts h, k, and l are stoichiometric coefficients, and A and B are the formal oxidation states of the Co and Fe metal sites in the structure) was shown to contain a rich series of compounds that are inter-linked…
Magnetism in coordination complexesLanthanide and Transition Metal ComplexesOrganic and Molecular Conductors Research