Search results for "Surfaces"
showing 10 items of 2837 documents
Gold(I)-catalysed cascade reactions in the synthesis of 2,3-fused indole derivatives.
2015
A gold(I)-catalysed hydroaminative/arylative cascade for the efficient synthesis of a variety of indole-fused skeletons has been developed. Factors controlling the catalyst loading required in these transformations involving 1,3-unsubstituted indole intermediates have been revealed, allowing isolation of an unprecedented 1,3-dimetallated 3H-indole gold complex characterized by X-ray diffraction.
Study of TiO2 nanomembranes obtained by an induction heated MOCVD reactor
2015
Abstract Nanostructures of TiO2 were grown using the metal oxide chemical vapor deposition (MOCVD) technique. The procedure used induction heating on a graphite susceptor. This specific feature and the use of cobalt and ferrocene catalysts resulted in nanomembranes never obtained by common MOCVD reactors. The present study discusses the preparation of TiO2 nanomembranes and the dependence of nanomembrane structure and morphology on growth parameters.
Organización del Trabajo Legislativo y Sistema de Partidos: el Caso del Uruguay
2011
En el articulo se sostiene que la estructuracion y organizacion del trabajo legislativo influye y es influida por el sistema de partidos. Se parte del supuesto de que la manera en que se regule el trabajo de los partidos en el Parlamento, servira como dispositivo para fortalecer o debilitar a los otros arreglos institucionales que intervienen en la formacion del sistema de partidos. No se trata de un estimulo inicial –de una variable independiente en sentido puro–, sino mas bien de un mecanismo que vigoriza y sostiene los incentivos generados por los otros subsistemas del sistema politico. Para demostrar la hipotesis se estudia el caso de Uruguay donde la estructura interna del Parlamento a…
Vibrational Sum Frequency Generation Spectroscopy of the Water Liquid–Vapor Interface from Density Functional Theory-Based Molecular Dynamics Simulat…
2013
International audience; The vibrational sum frequency generation (VSFG) spectrum of the water liquid-vapor (LV) interface is calculated using density functional theory-based molecular dynamics simulations. The real and imaginary parts of the spectrum are in good agreement with the experimental data, and we provide an assignment of the SFG bands according to the dipole orientation of the interfacial water molecules. We use an instantaneous definition of the surface, which is more adapted to the study of interfacial phenomena than the Gibbs dividing surface. By calculating the vibrational (infrared, Raman) properties for interfaces of varying thickness, we show that the bulk spectra signature…
Spectroscopic and theoretical study of push-pull chromophores containing thiophene-based quinonoid structures as electron spacers
2003
Donor−acceptor chromophores containing three different types of thiophene-based electron spacers and the same donor (1,3-dithiol-2-ylidene) and acceptor (dicyanomethylene) end groups have been investigated by infrared and vis-near-IR absorption spectroscopies with the aim of elucidating the ability of the heteroquinonoid spacers as electron transmitters. Density functional theory calculations have been carried out, both within the standard and the time-dependent formalisms, to assign the most relevant electronic and infrared features of these chromophores and to assess useful information about their molecular structures. Both theoretical calculations and vibrational spectra demonstrate the …
Intriguing Photochemistry of the Additives in the Dye-Sensitized Solar Cells
2016
Over the years numerous mixes of chemical compounds have been tried in the electrolytes of dye-sensitized solar cells in efforts to improve their efficiency. How these chemicals interact with each other and the photoelectrode has received surprisingly little attention. Here we report results from a systematic study of two I–/I3– electrolytes and their additives using infrared and Raman spectroscopy together with quantum chemical calculations. In the LiI electrolyte competing interactions between lithium cation and the solvent MPN and the additives TBP, NMBI, and GuSCN were identified. These interactions could inhibit the interaction of lithium ions with the TiO2 surface. It was found that u…
Structure of Urea Clusters Confined in AOT Reversed Micelles
2003
The structure of sodium bis(2-ethylhexyl)sulfosuccinate (AOT) and that of urea containing AOT reversed micelles has been investigated by small-angle neutron scattering (SANS) and Fourier transform infrared (FT-IR) spectroscopy at different AOT concentrations and urea/AOT molar ratios. For the AOT/n-heptane system, SANS data analysis indicates that AOT molecules form prolate ellipsoidal aggregates, which grow asymmetrically along the major axis upon increasing the surfactant concentration. For the urea/AOT/n-heptane system, the SANS results are consistent with the hypothesis that urea is encapsulated as small-sized ellipsoidal hydrogen-bonded clusters within the hydrophilic micellar core of …
Innovación tecnológica, competitividad y productividad: una aproximación al sector hostelería y restauración de la Comunidad Valenciana
2008
[Resumo] A innovación tecnolóxica contribúe, en boa medida, ao crecemento do sector turístico e ao aumento da produtividade dos factores de produción. Neste artigo, relaciónanse factores como a innovación, o emprego, a especialización e a concentración turística para explicar o crecemento do sector. Así mesmo, realízase unha análise comparativa entre a Comunidade Valenciana e España centrada nos subsectores da hostalaría e da restauración. [Resumen] La innovación tecnológica contribuye, en gran medida, al crecimiento del sector turístico y al aumento de la productividad de los factores de producción. En este articulo los factores como innovación, empleo, especialización y concentración turí…
About the relevance of anion-π interactions in water.
2021
Anion-π interactions are emerging as exotic features with potential applications in chemistry. In the last years, their relevance in living systems has been outlined, and so far there is no concluding significant evidence recognized about the participation of anion-π interactions in water because anion-π sensors contain large aromatic hydrophobic surfaces with limited solubility. By transforming a neutral heterocycle (for example quinoline) into its corresponding salt (quinolinium), we have been able to overcome these solubility issues, and new cationic water-soluble fluorophores have been prepared. Herein, we used N-alkylated heterocycles as π-acidic surfaces to shed light on the nature of…
Au70S20(PPh3)12: an intermediate sized metalloid gold cluster stabilized by the Au4S4 ring motif and Au-PPh3 groups
2018
Reducing (Ph3P)AuSC(SiMe3)3 with L-Selectride® gives the medium-sized metalloid gold cluster Au70S20(PPh3)12. Computational studies show that the phosphine bound Au-atoms not only stabilize the electronic structure of Au70S20(PPh3)12, but also behave as electron acceptors leading to auride-like gold atoms on the exterior.