Alvarezforsyth2287

This study provides a simple approach to selectively fabricate high and low conductance states by fine tuning of the electrode displacement.In order to explore the effects of the structures of organic molecules on their performance and develop high-efficiency self-assembly monolayers (SAMs), two heterocycle-based indole compounds, namely FYBI and TYBI, have been synthesized by a simple route. Herein, we show that FYBI and TYBI can effectively self-assemble on a copper surface and form strong anti-corrosive monolayers to protect copper in acid medium. The compositions, morphologies, and thicknesses of the SAMs have been investigated by XPS, FTIR, SEM and ellipsometry analyses. The optimal self-assembly conditions and inhibition performance of the SAMs with O- or S-heterocycles have been studied by electrochemical tests. According to the results, TYBI displays more powerful inhibition performance than FYBI. Furthermore, the high-resolution XPS and quantum calculation results reveal that the S-heterocycle indole (TYBI) can readily donate electrons to the empty d orbital of Cu and form more robust, hydrophobic, and anti-corrosive SAMs than the O-heterocycle indole (FYBI). The inhibited corrosion is achieved by inhibiting the generation of Cu2+. This systematic study on the performance of various heterocycle-based organic compounds gives a fresh perspective for forming SAMs with certain characteristics, such as anti-corrosion ability or super-hydrophobicity.The formation of dimethyl oxalate (DMO) via CO catalytic coupling on a series of catalysts including Pdn (n = 1, 2, 3, 4 and 6) clusters loaded on TiO2-V has been explored by density functional theory (DFT) calculation. The results show that different Pdn clusters have a remarkable influence on DMO formation. learn more The Pd1/TiO2-V catalyst is not suitable for the CO catalytic coupling reaction since CO is easily bound to the O atom on the surface of TiO2-V leading to the formation of CO2. The activity of four catalysts complies with the following order of Pd4/TiO2-V > Pd6/TiO2-V > Pd2/TiO2-V > Pd3/TiO2-V by comparing the activation energy barriers of the rate-determining steps in the optimal paths. Charge analysis implies that less charge is transferred from the Pd4/TiO2-V and Pd6/TiO2-V catalysts to CO than on the other catalysts, which leads to the relatively weak adsorption of CO, and therefore CO has a greater tendency to react with other species on the surface. In addition, Pd6/TiO2-V also exhibits relatively higher selectivity toward DMO than the other three catalysts. Therefore, Pd6 is regarded as a suitable cluster, which is supported on TiO2-V demonstrating high catalytic activity and selectivity to DMO.The first examples of Co(ii) mesoionic carbene complexes (CoX2DippMIC2; X = Cl-, Br-, I-) demonstrate a new electronic perturbation on tetrahedral Co(ii) complexes. Using absorption spectroscopy and magnetometry, the consequences of the MIC's strong σ-donating/minimal π-accepting nature are analyzed and shown to be further tunable by the nature of the coordinated halide.Rigid dinuclear ruthenium complexes containing non-aromatic caged and polycyclic spacer groups were synthesised and characterised. The complexes, [trans,trans-Ru(dmpe)2(C[triple bond, length as m-dash]CtBu)2(μ-C[triple bond, length as m-dash]C-X-C[triple bond, length as m-dash]C)], where X = 1,4-bicyclo[2.2.2]octane (C8H12) or 1,12-p-carborane (p-C2B10H10), were formed via the metathesis of terminal organic bisacetylenes with the methylruthenium complex, [trans-Ru(dmpe)2(CH3)(C[triple bond, length as m-dash]CtBu)], under mild conditions. Electrochemical studies demonstrated electronic interactions across the non-aromatic caged and polycyclic spacers was less than in the analogous complex with an aromatic spacer group, [trans,trans-Ru(dmpe)2(C[triple bond, length as m-dash]CtBu)2(μ-C[triple bond, length as m-dash]C-p-C6H4-C[triple bond, length as m-dash]C)]. Mononuclear complexes, [trans-Ru(dmpe)2(C[triple bond, length as m-dash]CtBu)(C[triple bond, length as m-dash]C-X-C[triple bond, length as m-dash]CH)], were also synthesised. [trans-Ru(dmpe)2(C[triple bond, length as m-dash]CtBu)(C[triple bond, length as m-dash]C-C8H12-C[triple bond, length as m-dash]CH)] and [trans,trans-Ru(dmpe)2(C[triple bond, length as m-dash]CtBu)2(μ-C[triple bond, length as m-dash]C-p-C2B10H10-C[triple bond, length as m-dash]C)] were structurally characterised by X-ray crystallography.Metallopolymers (MPs) or metal-containing polymers have shown great potential as self-healing and shape memory materials due to their unique characteristics, including universal architectures, composition, properties and surface chemistry. Over the past few decades, the exponential growth of many new classes of MPs that deal with these issues has been demonstrated. This review presents and assesses the latest achievements and problems associated with the use of MPs as self-healing and shape memory materials. Among the most widely used MPs with self-healing properties, metal complexes based on polymers containing phenol, carboxylic acid, pyridine, azole, histidine and urethane donor fragments are identified. Particular attention is paid to the principles of action of the shape memory MPs. Of considerable interest is the use of MPs as functional materials for sensors, soft electronic devices, transistors, conductors, nanogenerators, bone tissue engineering, etc. Finally, the problems and future prospects of MPs with self-healing and shape memory properties are outlined. This review also analyzes articles published over the past five years.The Simons process is widely used in the production of fluorinated organic molecules. It is believed to proceed through the electrochemical fluorination of a Ni anode using hydrogen fluoride (HF), forming an amorphous nickel fluoride film of unknown chemical structure NixFy. By using periodic density functional theory calculations, we describe the initial binding of HF to the Ni(111) and (211) surfaces in terms of binding energies and mechanisms. We start with the binding of a single HF molecule to the surfaces, with or without point defects and find that the binding is most efficient at protruding Ni atoms which provide a coordination site for the F atom. Subsequently, we study the structure of a fully covered HF/Ni interface and find that HF-HF hydrogen bonding dominates over HF adsorption to Ni. Finally, we model the electrolyte-electrode interface as an HF layer on Ni(111) with the anodic and cathodic adsorption of F- and H+ onto charged electrodes. The splitting of HF is found to be exothermic, even at low cell potentials.