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NMR properties of platinumthallium bonded complexes: analysis of relativistic density functional theory results

Boris Le Guennic、Kazuko Matsumoto、Jochen Autschbach2004-08-26Magnetic Resonance in Chemistry

The metal NMR parameters of the complexes [(NC)(5)Pt-Tl(CN)(n)](n -) (n = 0-3, I-IV) and [(NC)(5)Pt-Tl-Pt(CN)(5)](3-) (V), as well as [{Pt(NO(3))(NH(3))(2)L(2)}Tl(NO(3))(2)(MeOH)] (VI) and [{Pt(NO(3))(NH(3))(2)L(2)}(2)Tl](+) (VII) with L = NHCO(t)Bu, were computationally investigated by relativistic density functional…

Metal complexes synthesis and propertiesMagnetism in coordination complexesOrganic and Molecular Conductors Research

On the synthesis, crystal chemistry and magnetic properties of rasvumite and related compounds

H. Boller2004-08-26Acta Crystallographica Section A Foundations of Crystallography

Rasvumite, KFe 2 S 3 , belongs to a group of rare iron bearing alkali sulphide minerals together with erdite, bartonite, djerfisherite and others occurring in mafic alkaline rocks on the Kola peninsula (Russia) or Coyote Peak in California (USA) [1]. KFe 2 S 3 has been synthesized hydrothermally in microcrystalline ap…

Magnetic Properties of Alloys

Shadowing and absorption corrections of high-pressure powder diffraction data: toward accurate electron-density determinations

Andrzej Katrusiak2004-08-26Acta Crystallographica Section A Foundations of Crystallography

The shadowing of the primary beam and of reflections from a powder crystal sample enclosed in a diamond-anvil high-pressure cell (DAC) is described for unrestricted data-collection procedures. The corrections account for the shadowing of the data measured with point- or area-detector diffractometers and can be applied…

High-pressure geophysics and materialsCrystallography and molecular interactionsX-ray Diffraction in Crystallography

Melting and crystallization behavior of PA1010/TPU blends

Shuling Zhang、Guibin Wang、Zhenhua Jiang 等 6 位作者2004-08-26Journal of Applied Polymer Science

Abstract PA1010/TPU blends were prepared by melt blending. The melting, crystallization behavior, and isothermal crystallization kinetics were investigated using differential scanning calorimetry (DSC). The results showed that the DSC thermograms of blend samples exhibit double melting peaks. With increasing the TPU c…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Rapid Production of Carbon Nanotubes by High-Power Laser Ablation

Wen‐Ping Jiang、Pal Molian、H. Ferkel2004-08-26Journal of Manufacturing Science and Engineering

Carbon nanotubes were synthesized in an atmospheric chamber by irradiating a metal-catalyst containing graphite target with a 2 kW continuous wave CO2 laser and capturing the soot in flowing distilled water to facilitate continuous, rapid production. The ablation products, swept away by an argon flow and collected in…

Carbon Nanotubes in CompositesDiamond and Carbon-based Materials ResearchFullerene Chemistry and Applications

Structural and chemical surface modification of polymers by low-energy ions and influence on nucleation, growth and adhesion of noble metals

Kash L. Mittal2004-08-26OpenAlex

J. ZEKONYTE, V. ZAPOROJTCHENKO, S. WILLE, U. SCHUERMANN and F. FAUPEL* Technical Faculty, Chair for Multicomponent Materials, Kiel University, Kaiserstrasse 2, 24143 Kiel, Germany 1. INTRODUCTION The metallization of polymers with noble metals has been of interest in recent years, not only from a fundamental point of…

Diamond and Carbon-based Materials ResearchIon-surface interactions and analysisPolymer Nanocomposite Synthesis and Irradiation

The rate acceleration in solid‐state polycondensation of PET by nanomaterials

Huimin Yu、Keqing Han、Muhuo Yu2004-08-26Journal of Applied Polymer Science

Abstract The effect of nanomaterials on the solid‐state polycondensation (SSP) of PET was investigated using intrinsic viscosity measurement, wide‐angle X‐ray diffraction, differential scanning calorimetry, and polarizing microscope. The results showed that the montmorillonite nanomaterials could greatly increase the…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Relativistic DFT calculation of99Ru NMR parameters: chemical shifts and spin–spin coupling constants

Alessandro Bagno、Marcella Bonchio2004-08-26Magnetic Resonance in Chemistry

The nuclear shielding of (99)Ru in a wide variety of complexes was investigated computationally by DFT methods, including relativistic effects (by means of the Pauli and ZORA approximations), up to spin-orbit coupling and Slater all-electron or frozen-core basis sets. Mononuclear complexes, a trinuclear cluster and a…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesPolyoxometalates: Synthesis and Applications

Solid‐State Reactions of AgAc with TabHPF6 at Room Temperature − Isolation and Structural Characterisation of an Unusual Octadecanuclear Silver Thiolate Cluster [Ag9(Tab)8(MeCN)8]2(PF6)18·4MeCN [Tab = 4‐(trimethylammonio)benzenethiolate]

Jin‐Xiang Chen、Qingfeng Xu、Ying Xu 等 6 位作者2004-08-26European Journal of Inorganic Chemistry

Abstract The room‐temperature solid‐state reaction of silver acetate with TabHPF 6 [Tab = 4‐(trimethylammonio)benzenethiolate] followed by recrystallization from MeCN afforded a unique octadecanuclear silver thiolate complex [Ag 9 (Tab) 8 (MeCN) 8 ] 2 (PF 6 ) 18 ·4MeCN ( 1 ). An X‐ray analysis of 1 revealed that the s…

Quantum Dots Synthesis And PropertiesNanocluster Synthesis and ApplicationsInorganic Chemistry and Materials

Magnetic nanostructures from block copolymer lithography: Hysteresis, thermal stability, and magnetoresistance

Jay Cheng、Won Jung、C. A. Ross2004-08-26Physical Review B

A series of two dimensional close-packed $\mathrm{Co}$, $\mathrm{NiFe}$, and $\mathrm{CoFe}∕\mathrm{Cu}∕\mathrm{NiFe}$ magnetic particle arrays, in which the particles have mean diameters of $34\phantom{\rule{0.3em}{0ex}}\mathrm{nm}$, thicknesses of $5--20\phantom{\rule{0.3em}{0ex}}\mathrm{nm}$, and periodicity of $56…

Magnetic properties of thin filmsTheoretical and Computational PhysicsBlock Copolymer Self-Assembly

Synthesis and Properties of Urethane Acrylate Oligomers: Direct versus Reverse Addition

Kenneth W. Swiderski、I. V. Khudyakov2004-08-26Industrial & Engineering Chemistry Research

Common urethane acrylate oligomers can be synthesized by one of two modes of addition. A polyol can be terminated on each end with diisocyanate and then capped with a hydroxy functional acrylate, direct addition, or a diisocyanate can first be reacted with a hydroxy functional acrylate, and that product can be used to…

Polymer composites and self-healing

Green luminescence system containing a Tb3+‐β‐diketonate complex doped in the epoxy resin as sensitizer

Duclerc Fernandes Parra、Adriana Mucciolo、Hermi F. Brito2004-08-26Journal of Applied Polymer Science

Abstract Photoluminescent properties of the terbium tris(acetylacetonate)tetrahydrated [Tb(acac) 3 (H 2 O) 4 ], doped in the epoxy resin, in the solid state are reported. The polymeric Tb 3+ system and the precursor terbium complex were characterized by elemental analysis, thermogravimetry, differential scanning calor…

Luminescence Properties of Advanced MaterialsRadioactive element chemistry and processingLanthanide and Transition Metal Complexes

Charge-orbital ordering near the multicritical point inA-site ordered perovskites SmBaMn2O6andNdBaMn2O6

Daisuke Akahoshi、Y. Okimoto、Masato Kubota 等 7 位作者2004-08-26Physical Review B

Electronic and magnetic structures of $A$-site ordered perovskite-type manganites, $\mathit{Ln}\mathrm{Ba}{\mathrm{Mn}}_{2}{\mathrm{O}}_{6}$ ($\mathit{Ln}=\mathrm{Sm}$ and Nd), located close to the multicritical point of the competing phases, have been investigated by measurements of resonant x-ray scattering, optical…

Magnetic and transport properties of perovskites and related materialsMultiferroics and related materialsAdvanced Condensed Matter Physics

Ideal tensile strength ofB2transition-metal aluminides

Tianshu Li、J. W. Morris、D. C. Chrzan2004-08-26Physical Review B

The ideal tensile strengths of the $\mathrm{B}2$-type $(\mathrm{CsCl})$ transition-metal aluminides $\mathrm{FeAl}$, $\mathrm{CoAl}$, and $\mathrm{NiAl}$ have been investigated using an ab initio electronic structure total energy method. The three materials exhibit dissimilar mechanical behaviors under the simulated i…

Advanced ceramic materials synthesisBoron and Carbon Nanomaterials ResearchMXene and MAX Phase Materials

Fabrication and Characterization of Soluble Multi‐Walled Carbon Nanotubes Reinforced P(MMA‐co‐EMA) Composites

Junwei Yang、Jianhua Hu、Changchun Wang 等 5 位作者2004-08-26Macromolecular Materials and Engineering

Abstract Summary: Soluble multi‐walled carbon nanotubes ( s ‐MWNTs), obtained via amidation reaction of octadecylamine with purified multi‐walled carbon nanotubes ( p ‐MWNTs), were solution‐mixed with P(MMA‐ co ‐EMA) at various loadings. Compared to the p ‐MWNTs/P(MMA‐ co ‐EMA) composites, the s ‐MWNTs/P(MMA‐ co ‐EMA)…

Carbon Nanotubes in CompositesConducting polymers and applicationsFiber-reinforced polymer composites

Rearrangement of the Aggregation of the Gelator during Sol−Gel Transcription of a Dimeric Cholesterol-Based Viologen Derivative into Fibrous Silica

Pengchong Xue、Ran Lu、Dongmei Li 等 7 位作者2004-08-26Chemistry of Materials

New dimeric cholesterol-based viologen derivative 1 has been prepared and can form a very stable supergel in 1-butanol. To characterize the aggregation mode of 1 in the organogel phase, transmission electron microscopy (TEM) images, small-angle X-ray diffraction (SAXRD) patterns, and circular dichroism (CD) spectra we…

Luminescence and Fluorescent MaterialsSupramolecular Self-Assembly in MaterialsPolydiacetylene-based materials and applications

N,N‘-Dicyanoquinone Diimines (DCNQIs): Versatile Acceptors for Organic Conductors

Siegfried Hünig、Edith Herberth2004-08-26Chemical Reviews

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTN,N'-Dicyanoquinone Diimines (DCNQIs): Versatile Acceptors for Organic ConductorsSiegfried Hünig and Edith HerberthView Author Information Institute of Organic Chemistry, University of Würzburg, Am Hubland, D-97074 Würzburg, Germany Cite this: Chem. Rev. 2004, 104, 11, 5535–…

Organic Electronics and PhotovoltaicsMagnetism in coordination complexesOrganic and Molecular Conductors Research

Silicon Monoxide Clusters: The Favorable Precursors for Forming Silicon Nanostructures

Ruifeng Zhang、Mingwen Zhao、S. T. Lee2004-08-26Physical Review Letters

Using density-functional calculations, we show that the energetically favorable configurations of silicon monoxide clusters (SiO)n for n> or =5 facilitate the nucleation and growth of silicon nanostructures as the clusters contain sp3 silicon cores surrounded by silicon oxide sheaths. The frontier orbitals of (SiO)n c…

Graphene research and applicationsSemiconductor materials and devicesSilicon Nanostructures and Photoluminescence

Porous‐Conductive Chitosan Scaffolds for Tissue Engineering, 1

Ying Wan、Hua Wu、Dijiang Wen2004-08-26Macromolecular Bioscience

Novel porous-conductive chitosan scaffolds were fabricated by incorporating conductive polypyrrole (PPy) particles into a chitosan matrix and employing a phase separation technique to build pores inside the scaffolds. Conductive polypyrrole particles were prepared with a microemulsion method using FeCl3 as a dopant. T…

Advanced Sensor and Energy Harvesting MaterialsConducting polymers and applicationsElectrospun Nanofibers in Biomedical Applications

Polypyrrole: Diffusion Coefficients and Degradation by Overoxidation

Toribio F. Otero、Manuel Márquez、Iván J. Suárez2004-08-26The Journal of Physical Chemistry B

The electroactivity of electrogenerated polypyrrole films was degraded by applying consecutive anodic potential pulses (overoxidation). After each degradation step, the electroactivity of the material was recorded by voltammetric and chronoamperometric measurements. The charge consumed during each degradation step was…

Supercapacitor Materials and FabricationConducting polymers and applicationsElectrochemical Analysis and Applications