Search results for "Catalyst"

Ziegler–Natta catalysts based on vanadium halides: a DFT study

2003

Abstract Ziegler–Natta ethylene insertion into the carbon–metal bond for a number of fragments containing vanadium on different oxidation states as well as the halogen ligands has been studied by means of DFT. It is shown that the complexation and insertion energies are strongly influenced by the charge on the transition metal atom and, to some extent, by the electronegativity of the halogen atom. Complexation energy varies in the range −129 to −159 kJ/mol for charged species and −64 to −77 kJ/mol for neutral ones. Insertion energy follows a similar pattern and ranges from −28 to −62 and −82 to −100 kJ/mol, respectively. The calculated values are compared with the experimental results and d…

Polypyrrole–palladium nanoparticles composite as efficient catalyst for Suzuki–Miyaura coupling

2012

International audience; Synthesis of a new hybrid material (Pd/PPy) composed of polypyrrole globules with uniformly incorporated Pd nanoparticles via direct redox reaction between pyrrole and Pd(NH3)(4)Cl-2 in water has been recently reported (V.A. Zinovyeva, M.A.Vorotyntsev, I. Bezverkhyy, D. Chaumont, J.-C. Hierso, Adv. Funct. Mater. 21 (2011) 1064-1075). In the actual study, this procedure has been extended to synthesize a series of Pd/PPy powders with variable palladium content and morphological parameters. Depending on the monomer-to-oxidant ratio in reaction mixture, average diameters of Pd and PPy particles may change in the ranges of 1.25-1.45 and 27-62 nm, respectively, the Pd conc…

Highly Loaded Multi-Walled Carbon Nanotubes Non-Covalently Modified with a Bis-Imidazolium Salt and their Use as Catalyst Supports

2016

The surfaces of multi-walled carbon nanotubes (MWCNTs) were non-covalently modified using two bis-imidazolium dibromide derivatives having phenyl or pyrene groups. Due to the presence of the two pyrene groups the bis(pyren-1-ylmethylimidazolium) dibromide derivative was immobilised at a loading of about 15-16 wt %, whereas only <3 wt % of the phenyl derivative was immobilised. The presence of the two imidazolium cations helped the immobilisation of tetrachloropalladate ions after exchange with bromide ions. Tetrachloropalladate was used as pre-catalyst in several Suzuki-Miyaura carbon-carbon cross-coupling reactions in water or water/ethanol at 50 °C in only 0.1 mol % and compared with the …

Influence of Adsorbed Water on the Activation Energy of Model Photocatalytic Reactions

2017

Two commercial (Merck and Sigma-Aldrich) and two home prepared (HP05 and HP05C) powdered TiO2 photocatalysts were investigated by fast field cycling nuclear magnetic resonance experiments in order to explore the nature of the interactions between water and the solid surfaces. The results were related to the activation energies determined at temperatures ranging from 303 to 353 K for the photocatalytic oxidation in water of three model molecules presenting different interactions with the solid surface (catechol, phenol, and metylbenzoate). The photoactivity results at different temperatures were comparable to each other because the runs were carried out while keeping constant the concentrati…

Synergetic effect of gold in Au/Pd catalysts during hydrodesulfurization reactions of model compounds

2003

Abstract The simultaneous formation of colloidal dispersions of Pd and Au metal particles protected by the organic polymer polyvinylpyrrolidone (PVP) in reducing alcohol solution was used for the synthesis of new silica-supported monometallic and bimetallic Au x Pd y catalysts with different x / y ratios. The samples, with a 2 wt% total metal loading, after air calcinations at 673 K to remove the PVP, were characterized by X-ray diffraction, X-ray photoelectron spectroscopy, and FTIR spectra of chemisorbed CO. Formation of alloyed Au x Pd y particles of different metal composition with consequent modification of their electronic and geometric properties was ascertained. The catalytic activi…

The importance of supramolecular reaction media in catalysis

Energy and environmental assessment of powder and structured Ni/GDC catalysts

2019

Power -to-Gas technologies have been recently introduced as a relevant strategy allowing higher shares of renewable generation in the energy sector

Photocatalytic Degradation of 4-Nitrophenol in Aqueous Suspension by Using Polycrystalline TiO2 Impregnated with Lanthanide Double-Decker Phthalocyan…

2007

The photocatalytic activity of polycrystalline TiO2 samples impregnated with rare-earth-metal diphthalocyanines was investigated. The 4-nitrophenol (4-NP) photocatalytic degradation in aqueous suspension was used as a probe reaction. Commercial anatase TiO2 was impregnated with home-prepared double-decker phthalocyanine complexes of the lanthanide metals, such as Ce, Pr, Nd, Sm, Ho, and Gd. In particular, the impregnation with Ho, Sm, and Nd complexes, acting as sensitizers, proved beneficial for the photoactivity of the studied systems. Significant improvements of the TiO2-based catalytic system appeared possible in terms of lower impregnation loading, enhanced photoreactivity under solar …

Gas-phase hydrogenation of propionitrile on copper-lanthanide oxides

2009

Abstract The hydrogenation of propionitrile on copper-lanthanide oxide catalysts (2Cu·CeO 2 and 4Cu·Ln 2 O 3 (Ln = La, Pr, Nd)) was studied in the gas phase. The activity of the catalysts varies with the lanthanide in the order 2Cu·CeO 2  > 4Cu·Pr 2 O 3  > 4Cu·La 2 O 3  ≥ 4Cu·Nd 2 O 3 , while the activation energies varies in the opposite order, except for 2Cu·CeO 2 . The main product was the primary amine, n -propylamine. The formation of the unstable imine CH 3 CH 2 N CHCH 3 as a major product over 2Cu·CeO 2 seems to be consistent with the acidity of the catalyst. The catalysts were more selective than conventional copper impregnation catalysts, Cu (10 wt.%) on SiO 2 , La 2 O 3 or CeO 2 ,…

Di- and Tetrairon(III) μ-Oxido Complexes of an N3S-Donor Ligand: Catalyst Precursors for Alkene Oxidations

2019

The new di- and tetranuclear Fe(III) μ-oxido complexes [Fe 4 (μ-O) 4 (PTEBIA) 4 ](CF 3 SO 3 ) 4 (CH 3 CN) 2 ] (1a), [Fe 2 (μ-O)Cl 2 (PTEBIA) 2 ](CF 3 SO 3 ) 2 (1b), and [Fe 2 (μ-O)(HCOO) 2 (PTEBIA) 2 ](ClO 4 ) 2 (MeOH) (2) were prepared from the sulfur-containing ligand (2-((2,4-dimethylphenyl)thio)-N,N-bis ((1-methyl-benzimidazol-2-yl)methyl)ethanamine (PTEBIA). The tetrairon complex 1a features four μ-oxido bridges, while in dinuclear 1b, the sulfur moiety of the ligand occupies one of the six coordination sites of each Fe(III) ion with a long Fe-S distance of 2.814(6) A. In 2, two Fe(III) centers are bridged by one oxido and two formate units, the latter likely formed by methanol oxidati…