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991.
The 13P and 13C spectra of the triply 13C labelled molecules (CH3)3P, (CH3)3PO, (CH3)3PS and (CH3)3PSe oriented in a nematic phase are reported. The CPC bond angles have been measured. The 13P chemical shift tensor shows a large anisotropy except in the case of (CH3)3P. The abnormal large value observed for the PSe bond length suggests a large anisotropy of the 1J(PSe) spin coupling. 相似文献
992.
Werwie M Xu X Haase M Basché T Paulsen H 《Langmuir : the ACS journal of surfaces and colloids》2012,28(13):5810-5818
Light-harvesting complex (LHCII) of the photosynthetic apparatus in plants is attached to type-II core-shell CdTe/CdSe/ZnS nanocrystals (quantum dots, QD) exhibiting an absorption band at 710 nm and carrying a dihydrolipoic acid coating for water solubility. LHCII stays functional upon binding to the QD surface and enhances the light utilization of the QDs significantly, similar to its light-harvesting function in photosynthesis. Electronic excitation energy transfer of about 50% efficiency is shown by donor (LHCII) fluorescence quenching as well as sensitized acceptor (QD) emission and corroborated by time-resolved fluorescence measurements. The energy transfer efficiency is commensurable with the expected efficiency calculated according to F?rster theory on the basis of the estimated donor-acceptor separation. Light harvesting is particularly efficient in the red spectral domain where QD absorption is relatively low. Excitation over the entire visible spectrum is further improved by complementing the biological pigments in LHCII with a dye attached to the apoprotein; the dye has been chosen to absorb in the "green gap" of the LHCII absorption spectrum and transfers its excitation energy ultimately to QD. This is the first report of a biological light-harvesting complex serving an inorganic semiconductor nanocrystal. Due to the charge separation between the core and the shell in type-II QDs the presented LHCII-QD hybrid complexes are potentially interesting for sensitized charge-transfer and photovoltaic applications. 相似文献
993.
Viviane B. de Oliveira Nizamara S. Pereira Carlos Kleber Z. Andrade Maria José A. Sales 《Macromolecular Symposia》2012,319(1):203-209
Summary: In recent years, an important class of new compounds, ionic liquids (ILs), has been investigated as additives for polymers. In this work, we carried out the synthesis of 4 different ILs: 1-butyl-3-methylimidazolium tetrafluoroborate (BMIM.BF4), 1-butyl-3-methylimidazolium hexafluorophosphate (BMIM.PF6), and the chiral ILs acetyl-(−)menthol-1-buthylimidazole tetrafluoroborate ([amebim]BF4) and acetyl-(−)menthol-1-buthylimidazole hexafluorophosphate ([amebim]PF6). These ILs were added to poly(methyl methacrylate) (PMMA) in 10, 20 and 30% ratios by weight and the ILs, PMMA and the obtained materials (PMMA:ILs) were characterized by infrared, visible spectroscopy and atomic force microscope. The ILs added to PMMA did not provide significant changes in the infrared spectra, compared to pure PMMA. However, the absorption spectra in the visible region of the PMMA:ILs materials showed differences, compared to the spectrum of pure PMMA. 相似文献
994.
Michel Lebœuf Diego Cortes Reynald Hocquemiller André Cavé Angèle Chiaroni Claude Riche 《Tetrahedron》1982,38(19):2889-2896
The structure of guoregine, a new isoquinoline alkaloid from , Annonaceae, has been deduced by spectral analysis and confirmed by an X-ray structure determination. It is the first member of a new class of cularine-related alkaloids (α--dimetyltetradehydrocularines). 相似文献
995.
Inmaculada García Cuesta José Sánchez-Marín Alfredo M J Sánchez de Merás 《Chemphyschem》2006,7(2):508-513
Investigations into the charge-separated states and electron-transfer transitions in tetracyanoethylene (TCNE) complexes have recently generated much interest. In this work we present theoretical calculations showing that the most stable structure of the dianion TCNE2- has D2d symmetry in vacuum as well as in the solvents dichloromethane and acetonitrile. By means of the coupled cluster linear response, we compute the vertical electronic spectrum in both the gas phase and solution. The theoretical results are compared to the experimental data and good agreement is achieved. 相似文献
996.
[structure: see text] Energies computed by B3LYP and other popular DFT functionals are flawed by systematic errors, which can become considerable for larger molecules. These errors, predominately due to inadequacies in assessing longer-range nonbonded attractive effects (dispersion), are illustrated by the isodesmic stabilization energies of n-alkanes (based on methane and ethane, which have no stabilizing 1,3-alkyl group interactions). Newer functionals, designed to describe weak interactions, give somewhat better agreement with experiment, but are not fully satisfactory. 相似文献
997.
A highly enantioselective (up to 97.5% ee) and diastereoselective (95:5 dr trans/cis) Cu(I)-catalyzed cyclopropanation of alkenes using phenyliodonium ylide generated in situ from iodosobenzene and methyl nitroacetate is reported. The cyclopropanation took place with high enantioselectivity for a wide range of alkenes, and the reaction was performed at room temperature. 1-Nitrocyclopropyl esters are versatile building blocks to access the corresponding cyclopropane amino esters and aminocyclopropanes in two and three steps, respectively, from commercially available products. 相似文献
998.
Jean-René Licois 《Annali di Matematica Pura ed Applicata》1997,172(1):125-163
Let M be a compact riemannian manifold; in a previous article we show that every non- negative solution of utt + Δg u=f(u) on M ×R +, satisfying Dirichlet or Neumann boundary conditions, converges to a (stationary) solution Φ of Δg Φ=f(Φ) with exponential decay of ∥u - Φ∥c2(M), if we assume that f behaves like r? rp - λr. We extend this result to a system in the following form $$\left\{ {\begin{array}{*{20}c} {u_{tt} + \Delta _g u + \alpha u - G_x (u,\upsilon ) = 0,} \\ {u_{tt} + \Delta _g \upsilon + \beta \upsilon - G_x (u,\upsilon ) = 0,} \\ \end{array} } \right.$$ . where G satisfies some growth and convexity properties. 相似文献
999.
Designing a majorization scheme for the recourse function in two-stage stochastic linear programming
José H. Dulá 《Computational Optimization and Applications》1993,1(4):399-414
We discuss issues pertaining to the domination from above of the second-stage recourse function of a stochastic linear program and we present a scheme to majorize this function using a simpler sublinear function. This majorization is constructed using special geometrical attributes of the recourse function. The result is a proper, simplicial function with a simple characterization which is well-suited for calculations of its expectation as required in the computation of stochastic programs. Experiments indicate that the majorizing function is well-behaved and stable. 相似文献
1000.
Pita M Abad JM Vaz-Dominguez C Briones C Mateo-Martí E Martín-Gago JA Morales Mdel P Fernández VM 《Journal of colloid and interface science》2008,321(2):484-492
Controlled synthesis of cobalt ferrite superparamagnetic nanoparticles covered with a gold shell has been achieved by an affinity and trap strategy. Magnetic nanoparticles are functionalized with a mixture of amino and thiol groups that facilitate the electrostatic attraction and further chemisorption of gold nanoparticles, respectively. Using these nanoparticles as seeds, a complete coating shell is achieved by gold salt-iterative reduction leading to monodisperse water-soluble gold-covered magnetic nanoparticles, with an average diameter ranging from 21 to 29 nm. These constitute a versatile platform for immobilization of biomolecules via thiol chemistry, which is exemplified by the immobilization of peptide nucleic acid (PNA) oligomers that specifically hybridize with complementary DNA molecules in solution. Hybridation with DNA probes has been measured using Rhodamine 6G fluorescence marker and the detection of a single nucleotide mutation has been achieved. These results suggest the PNA-nanoparticles application as a biosensor for DNA genotyping avoiding commonly time-consuming procedures employed. 相似文献