Search results for "Palladium"
showing 10 items of 956 documents
Cyclocarbonylation reactions of allylphenols and allylnaphthols catalyzed by Pd/C- 1,4-bis(diphenylphosphine)butane
2002
Palladium/activated carbon (Pd/C) in the presence of 1,4-bis(diphenylphosphino)butane is an efficient heterogeneous catalyst for cyclocarbonylation reactions of 2-allyl phenols affording five-, six-, and seven-membered ring lactones. Various examples of cyclocarbonylation are reported and the regioselectivity is compared with the homogeneous system. Both commercial Pd/C and Pd/C prepared from activated carbons obtained from vegetable and polymeric wastes are investigated.
Theoretical Study of Palladium Cluster Structures on Carbonaceous Supports
2007
DFT calculations have been performed on a palladium cluster adsorbed on two different carbonaceous supports, namely, two stacked polycircumcoronene units mimicking a double layer of graphite and a portion of an armchair (6,6) carbon nanotube. All of the systems have been subjected to geometry optimization and electronic structure investigation. This work, which is part of an extensive computational study on heterogeneous catalytic systems, is devoted to identify electronic and geometrical changes in which metal clusters and supports are involved upon interaction. Such analysis is helpful in designing new heterogeneous metallic catalysts, namely, new metal-supported carbonaceous catalysts. C…
Electrolyses model development for metal/electrolyte interface: Testing with microrespiration sensors
2011
Abstract Initial process of electrolysis is investigated using platinum and tungsten wires as hydrogen electrodes and inductive kickback voltage peak based power unit. Microelectrodes are used to determine concentrations of dissolved hydrogen and pH close to wire electrodes. It is observed that concentration of dissolved hydrogen increases faster on tungsten electrode as on platinum. Authors explain this fact with differences of hydrogen evolution reaction on both materials – inductive kickback voltage peak power unit is supplying very short voltage pulses with limited energy what is enough only for hydrogen adsorption on platinum electrode, but is sufficient for full hydrogen evolution rea…
The Pd3(dppm)3(CO)2+ Cluster: An Efficient Electrochemically Assisted Lewis Acid Catalyst for the Fluorination and Alcoholysis of Acyl Chlorides.
2002
The dicationic palladium cluster Pd3(dppm)3(CO)2+ (dppm = bis(diphenylphosphino)methane) reacts with acid chlorides RCOCl (R = n-C6H13, t-Bu, Ph) to afford quantitatively the chloride adduct Pd3(dppm)3(CO)(Cl)+ and the acyl cation RCO+ as the organic counterpart. The dicationic reactive cluster can be reformed by electrolyzing the chloride complex with a copper anode leaving CuCl as a byproduct. The combination of these two reactions provides an electrocatalytic way to form the acylium from the acid chloride. Indeed, in CH2Cl2, 0.2 M NBu4PF6, or NBu4BF4, the electrolysis of the acid chloride in the presence of a catalytic amount of the cluster (1%) gives in good yields the acid fluoride RCO…
Graph-based analysis of ethylene glycol decomposition on a palladium cluster
2017
The ethylene glycol, CH2OH-CH2OH, decomposition mechanism, occurring on a subnanometric palladium cluster shaped by 12 atoms, was investigated by means of density functional theory. Different reaction routes were identified leading to H2 and CO. The whole reaction network was analyzed, framing the results within the graph theory. The possible decomposition pathways were discussed and compared, allowing one to draw a whole picture of all the parallel, possibly competitive, routes that starting from CH2OH-CH2OH originate H2 and CO.
Palladium on pumice: new catalysts for the stereoselective semihydrogenation of alkynes to (Z)-alkenes
2001
Abstract High selectivities (93–99%) and excellent stereoselectivities (>99%) in the semihydrogenation of CC triple bonds were achieved using palladium on pumice with a metal loading of 0.5, 1.5 or 3.0% wt as catalyst. The reactions were carried out in ethanol or tetrahydrofuran with only 2.5% of ethylenediamine allowing a self-terminating semihydrogenation independently on the CC triple bond.
ChemInform Abstract: Palladium on Pumice: New Catalysts for the Stereoselective Semihydrogenation of Alkynes to (Z)-Alkenes.
2010
Abstract High selectivities (93–99%) and excellent stereoselectivities (>99%) in the semihydrogenation of CC triple bonds were achieved using palladium on pumice with a metal loading of 0.5, 1.5 or 3.0% wt as catalyst. The reactions were carried out in ethanol or tetrahydrofuran with only 2.5% of ethylenediamine allowing a self-terminating semihydrogenation independently on the CC triple bond.
DFT study on complete ethylene decomposition on flat and stepped Pd
2010
Abstract We applied density functional theory (DFT) calculations to study ethylidyne (CCH 3 ) adsorption and decomposition to C and H over flat and stepped Pd surfaces. Our calculations show that ethylidyne is the most stable molecule among all the possible dehydrogenation or decomposition residues of ethylene. We discuss various possible reaction pathways for ethylidyne decomposition and point out that the most probable one is via ethynyl (CCH) species suggested also by experimental observations. Our calculations indicate that the presence of steps modify the potential energy surface by increasing the binding of most of the species, and also lowering the activation barrier for several reac…
First principles investigations of Pd-on-Au nanostructures for trichloroethene catalytic removal from groundwater
2010
Catalytic groundwater remediation from chlorinated organic solvents like trichloroethene (TCE) has been found to be more effective and sustainable than traditional non-destructive methods. Among the experimentally studied catalyst materials, Pd-decorated Au nanoparticles show the highest activity and selectivity combined with the best resistance towards poisoning by chemicals present in groundwater. In this study the thermochemistry and adsorption geometries of TCE and its hydrodechlorination products are investigated via density functional theory calculations. Various model systems for Pd-supported Au nanoparticles are addressed. The adsorption of TCE is endothermic on bare Au(111), almost…
ChemInform Abstract: Palladium Supported on Cross-Linked Imidazolium Network on Silica as Highly Sustainable Catalysts for the Suzuki Reaction under …
2013
3-Mercaptopropyl-modified silica-supported bis-imidazolium Pd-catalysts are developed and successfully utilized for Suzuki reactions.