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Excited-state Properties (excited-state + property)
Selected AbstractsSynthesis and Excited-State Properties of an Oligophenylenevinylene Heptamer Substituted with Two Fullerene Moieties.CHEMINFORM, Issue 4 2007Aline Gegout Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF. [source] Dinuclear Iridium(III) Complexes Linked by a Bis(,-diketonato) Bridging Ligand: Energy Convergence versus Aggregation-Induced EmissionEUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 23 2010Chang Hwan Shin Abstract Novel iridium(III)/iridium(III) and iridium(III)/platinum(II) dinuclear complexes, [{Ir(ppyFF)2}2(,2 - L)] (4) and [{Ir(ppyFF)2}(,2 - L){Pt(ppy)}] (5) [ppyFF = 2-(2,4-difluorophenyl)pyridine, ppy = 2-phenylpyridine, L = 1,3-bis(3-phenyl-3-oxopropanoyl)benzene], linked by an L bridging ligand were prepared, and their photophysical properties were investigated in solution and in the solid state. The photophysical properties of mononuclear iridium(III) and platinum(II) complexes, [Ir(ppyFF)2(dbm)] (1) and [Pt(ppy)(dbm)] (2) bearing a dibenzoylmethane (dbm) ligand were also compared. Whereas the UV/Vis absorption spectra of 4 and 5 show independent light absorption at each metal-centered moiety, the photoluminescence spectra of 4 and 5 display almost identical features, but very weak emissions in solution at both room temperature and 77 K. The weak emission in solution is found to mainly originate from a 3LX state of the L bridging ligand, which reflects the occurrence of efficient energy convergence from the triplet states of the Pt(ppy) and Ir(ppyFF) moieties to the 3LX state of L. By contrast, intense orange-red emission, that is, aggregation-induced emission, is produced in the solid state of 4 and 5. Inspection of the crystal-packing structures of 5 reveals that strong intermolecular ,,, interactions between the adjacent pyridine rings of ppyFF ligands in the Ir-centered moieties are responsible for the emissive metal-to-ligand,ligand charge-transfer [3M(LL)CT] state of the solid-state dinuclear systems. The electrochemical properties of 4 and 5 further indicate that the first two reductions occur at the dbm moieties of the L bridging ligand linked to each metal center, which is consistent with the fact that the lowest-energy excited state of the L bridging ligand dominates the excited-state properties of 4 and 5 in solution. [source] Investigation of excited-state properties of fluorene,thiophene oligomers by the SAC-CI theoretical approachJOURNAL OF COMPUTATIONAL CHEMISTRY, Issue 10 2010Potjaman Poolmee Abstract Excited states of fluorene-ethylenedioxythiophene (FEDOT) and fluorene- S,S -dioxide-thiophene (FTSO2) monomers and dimers were studied by the symmetry-adapted cluster (SAC)-configuration interaction (CI) method. The absorption and emission peaks observed in the experimental spectra were theoretically assigned. The first three excited states of the optimized conformers, and the conformers of several torsional angles, were computed by SAC-CI/D95(d). Accurate absorption spectra were simulated by taking the thermal average for the conformers of torsional angles from 0° to 90°. The conformers of torsional angles 0°, 15°, and 30° mainly contributed to the absorption spectra. The full width at half-maximum of the FEDOT absorption band is 0.60 eV (4839 cm,1), which agrees very well with the experimental value of 0.61 eV (4900 cm,1). The maximum absorption wavelength is located at 303 nm, which is close to those of the experimental band (327 nm). The calculated absorption spectrum of FTSO2 showed two bands in the range of 225,450 nm. This agrees very well with the available experimental spectrum of a polymer of FTSO2, where two bands are detected. The excited-state geometries were investigated by CIS/6-31G(d). These showed a quinoid-type structure which exhibited a shortening of the inter-ring distance (0.06 Å for FEDOT and 0.04 Å for FTSO2). The calculated emission energy of FEDOT is 3.43 eV, which agrees very well with the available experimental data (3.46 eV). The fwhmE is about 0.49 eV (3952 cm,1), while the experimental fwhm is 0.43 eV (3500 cm,1). For FTSO2, two bands were also found in the emission spectrum. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2010 [source] Synthetically Tailored Excited States: Phosphorescent, Cyclometalated Iridium(III) Complexes and Their ApplicationsCHEMISTRY - A EUROPEAN JOURNAL, Issue 31 2006Michael S. Lowry Abstract Phosphorescent iridium(III) complexes are being widely explored for their utility in diverse photophysical applications. The performance of these materials in such roles depends heavily on their excited-state properties, which can be tuned through ligand and substituent effects. This concept article focuses on methods for synthetically tailoring the properties of bis-cyclometalated iridium(III) materials, and explores the factors governing the nature of their lowest excited state. [source] | ||||||||||