Search results for " ELECTRONIC-STRUCTURE"

showing 3 items of 3 documents

Induced Chirality in Confined Space on Halogen Gold Complexes

2015

The solubilization of HAuCl4 in toluene within optically active reverse micelles and lamellar structures formed by (1R,2S)-Dodecyl(2-hydroxy-1-methyl-2-phenylethyl)- dimethylammonium bromide (DMEB) has allowed us to evidence the complex phenomenology accompanying the confinement of Au salt within these nanostructures. Together with a chloride/bromide exchange process occurring in the first coordination sphere of an Au ion, UV−vis and electronic circular dichroism (ECD) spectra reveal the appearance of an induced dichroic signal attributable to Au complexes entrapped in the hydrophilic domain of the DMEB chiral nanostructures. Interestingly, change of the effective oxidation state and coordi…

Circular dichroismSupramolecular chiralityCoordination spherechirality confined space DMEBPhotochemistrySurfaces Coatings and FilmsElectronic Optical and Magnetic Materialschemistry.chemical_compoundGeneral EnergychemistryBromideRAY-ABSORPTION SPECTROSCOPY; BODY DISTRIBUTION-FUNCTIONS; NEAR-EDGE STRUCTURE; STABILIZED MICROEMULSIONS; SUPRAMOLECULAR CHIRALITY; CINCHONIDINE ADSORPTION; ELECTRONIC-STRUCTURES; CHIROPTICAL ACTIVITY; UNDECAGOLD CLUSTERS; CONDENSED MATTERPhysical and Theoretical ChemistryAbsorption (chemistry)SpectroscopyChirality (chemistry)Settore CHIM/02 - Chimica FisicaCoordination geometryThe Journal of Physical Chemistry C
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Theoretical and Experimental Study of the Crystal Structures, Lattice Vibrations, and Band Structures of Monazite-Type PbCrO4, PbSeO4, SrCrO4, and Sr…

2015

The crystal structures, lattice vibrations, and electronic band structures of PbCrO4, PbSeO4, SrCrO4, and SrSeO4 were studied by ab initio calculations, Raman spectroscopy, X-ray diffraction, and optical-absorption measurements. Calculations properly describe the crystal structures of the four compounds, which are isomorphic to the monazite structure and were confirmed by X-ray diffraction. Information is also obtained on the Raman- and IR-active phonons, with all of the vibrational modes assigned. In addition, the band structures and electronic densities of states of the four compounds were determined. All are indirect-gap semiconductors. In particular, chromates are found to have band gap…

Models MolecularBand gapMolecular ConformationElectronsElectronic structureElectron holeSelenic AcidCrystallography X-RayVibrationMolecular physicsInorganic ChemistryX-RAY-DIFFRACTIONAb initio quantum chemistry methodsHIGH-PRESSUREChromatesPhysical and Theoretical ChemistryChemistrySemimetalCrystallographyELECTRONIC-STRUCTURELeadStrontiumMolecular vibrationQuantum TheoryMetals Rare EarthDirect and indirect band gapsX-RAY-DIFFRACTION; HIGH-PRESSURE; ELECTRONIC-STRUCTURE;Quasi Fermi level
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Bimetallic PdAg nanoparticle arrays from monolayer films of diblock copolymer micelles

2015

MICROSCOPIE+ATARI+EEH:GMA:TBG:NSP:MAO; International audience; The self-assembly technique provides a highly efficient route to generate well-ordered structures on a nanometer scale. In this paper, well-ordered arrays of PdAg alloy nanoparticles on flat substrates with narrow distributions of particle size (6-7 nm) and interparticle spacing (about 60 nm) were synthesized by the block copolymer micelle approach. A home-made PS-b-P4VP diblock copolymer was prepared to obtain a micellar structure in toluene. Pd and Ag salts were then successfully loaded in the micellar core of the PS-b-P4VP copolymer. A self-assembled monolayer of the loaded micelles was obtained by dipping the flat substrate …

NanostructureMaterials scienceNanoparticleCATALYTIC-PROPERTIESNanotechnologyMicelleNANOSTRUCTURESX-ray photoelectron spectroscopyMonolayerBLOCK-COPOLYMERCopolymerGeneral Materials ScienceHigh-resolution transmission electron microscopyBimetallic stripнаночастицысплавыSPECTROSCOPYPALLADIUMSURFACES[CHIM.MATE]Chemical Sciences/Material chemistry[CHIM.CATA]Chemical Sciences/CatalysisBEAM DEPOSITION[SDE.ES]Environmental Sciences/Environmental and Society[ CHIM.POLY ] Chemical Sciences/PolymersELECTRONIC-STRUCTURE[CHIM.POLY]Chemical Sciences/PolymersChemical engineeringпалладий[ CHIM.MATE ] Chemical Sciences/Material chemistryсереброFUNCTIONAL MATERIALSBLOCK-COPOLYMER FUNCTIONAL MATERIALS ELECTRONIC-STRUCTURE CATALYTIC-PROPERTIES BEAM DEPOSITION METAL-CLUSTERS NANOSTRUCTURES PALLADIUM SURFACES SPECTROSCOPYMETAL-CLUSTERS
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