Search results for "Catalysis"
showing 10 items of 5944 documents
Geometric Structure and Torsional Potential of Biisothianaphthene. A Comparative DFT and ab Initio Study
1997
We present a study of the torsional potential of biisothianaphthene and compare it to that of bithiophene. The calculations are performed at the ab initio and semiempirical Hartree−Fock (HF), ab initio post-Hartree−Fock, and density functional theory (DFT) levels. Our study has two major aims: (i) on the physico-chemical side, to asses the optimal conformation of biisothianaphthene and evaluate the rotational barriers toward coplanar structures and (ii) on the methodological side, to asses the usefulness of DFT approaches. In contrast to previous estimates, the torsional potential of biisothianaphthene is found to differ markedly from that of bithiophene. For biisothianaphthene, strongly r…
ChemInform Abstract: Green Oxidation of Alcohols to Carbonyl Compounds by Heterogeneous Photocatalysis
2011
‘One-Pot’ Synthesis of Raumacline from Ajmaline
1993
For the alkaloid raumacline (2), which is a biotransformation product of ajmaline (1) in Rauwolfia serpentina cell cultures, an efficient ‘one-pot’ synthesis was developed using a NaBH4/riboflavin/light-mediated transformation of 1 into 2 with a total yield of 86%.
Characterization of Pumice-Supported Ag–Pd and Cu–Pd Bimetallic Catalysts by X-Ray Photoelectron Spectroscopy and X-Ray Diffraction
1999
Bimetallic Ag–Pd and Cu–Pd catalysts supported on pumice have been prepared in order to be used in the selective hydrogenation of dienes. The catalysts were obtained by the classical impregnation method and in the case of the Cu–Pd system also by organometallic precursors. They were analysed by X-ray photoelectron spectroscopy (XPS) and X-ray diffraction (XRD). XPS allowed us to determine the surface distribution and chemical state of the two elements; XRD yielded the lattice parameters and allowed us to establish the possible formation of alloys. The two bimetallic systems behave differently. In the case of the Ag-Pd catalysts, Pd particles covered by silver atoms along with highly dispers…
The role of molybdenum in Mo-doped V–Mg–O catalysts during the oxidative dehydrogenation of n-butane
1999
Abstract A detailed study on the influence of the addition of molybdenum ions on the catalytic behaviour of a selective vanadium–magnesium mixed oxide catalyst in the oxidation of n-butane has been performed. The catalysts have been prepared by impregnation of a calcined V–Mg–O mixed oxides (23.8 wt% of V2O5) with an aqueous solution of ammonium heptamolybdate, and then calcined, and further characterised by several physico-chemical techniques, i.e. SBET, XRD, FTIR, FT-Raman, XPS, H2-TPR. MgMoO4, in addition to Mg3V2O8 and MgO, have been detected in all the Mo-doped samples. The incorporation of molybdenum modifies not only the number of V5+-species on the catalyst surface and the reducibil…
Evidence of intramolecular electron transfer between two metallic atoms in a bimetallic complex by electrochemical methods
2005
The electrochemical properties of the monomeric complex [(η5-C5H5)(μ-η5:η1-C5H4(CH2)2P(C6H5)2TiCl2] 1 and the heterobimetallic complex [(η5-C5H5)(μ-η5:η1-C5H4(CH2)2P(C6H5)2TiCl2][RuCl2(C6H4(CH3)(C3H7))] 2 have been studied by cyclic voltammetry, controlled potential electrolysis and rotating disk electrode voltammetry. An unexpected electron transfer between the two heterobimetallic atoms has been observed. This transfer takes place via an intramolecular interaction, hence via a chloride bridge. Electrochemical simulation has been carried out to verify experimental results and to obtain the kinetic constant of the proposed square scheme.
Construction of green nanostructured heterogeneous catalysts via non-covalent surface decoration of multi-walled carbon nanotubes with Pd(II) complex…
2017
Abstract Green nanostructured heterogeneous catalysts were prepared via a bottom-up strategy. Designed ligands were synthesized joining covalently an electrondeficient pyrimidine residue and a scorpiand azamacrocycle. The desired molecular properties were easily transferred to nanostructured materials in two steps: first, exploiting their spontaneous chemisorption onto multi-walled carbon nanotubes (MWCNTs) via the pyrimidinic moiety in water at room temperature, then, taking advantage of the easy coordination of Pd(II) to the azamacrocycle in the same conditions. An evenly distribution of catalytic centres was obtained on the MWCNTs surface. Catalytic properties of these materials were ass…
(-)-Isosteviol as a Versatile Ex-Chiral-Pool Building Block for Organic Chemistry (Eur. J. Org. Chem. 25/2013)
2013
High activity of brookite TiO2 nanoparticles in the photocatalytic abatement of ammonia in water
2015
Abstract The effects of the TiO 2 crystal structure and its surface modification with Pt nanoparticles on the photocatalytic oxidation of NH 3 in the aqueous phase were studied with home-made TiO 2 photocatalyst powders synthesized by a thermo-hydrolysis approach that allowed a fine control of the crystallographic phase composition. Ammonia conversion and the selectivity toward mildly oxidized N 2 and highly oxidized nitrite and nitrate anions were monitored during the runs. Pure brookite powders modified by Pt nanoparticles, deposited either from a colloidal suspension or by deposition–precipitation, were found to be the most efficient photocatalysts in NH 3 degradation, with a desired goo…