Among the characteristic features of the coordination chemistry of ruthenium, which are manifested by complexes containing a considerable range of ligands, are the propensities for intraand intermolecular metallation of arenes and for the formation of polyhydride complexes. Some aspects of this coordination chemistry are discussed, including the roles of ruthenium polyhydride complexes in catal...

Catalytic hydrogenation of aromatic compounds is an important reaction which is useful for making key intermediates in organic chemistry and for the production of aromaticcontent-free fuels. More recently, there has been much interest in the potential for storage of molecular hydrogen, as an energy source, by catalytic hydrogenation of carboneous materials (e.g., fullerene and carbon nanotubes)...

The oxirene is an unsaturated heterocyclic molecule with one oxygen atom and two carbon atoms. Its hydrogenation has been performed on two catalytic site based on molybdenum disulfide (MoS2) and tungsten disulfide (WS2) of MoS3H3 and WS3H3 type, respectively. The calculations were carried out using the SCF and MP2 methods and B3LYP functional calculations. The results obtained showed that the h...

Monodisperse rhodium (Rh) and platinum (Pt) nanoparticles as small as approximately 1 nm were synthesized within a fourth generation polyaminoamide (PAMAM) dendrimer, a hyperbranched polymer, in aqueous solution and immobilized by depositing onto a high-surface-area SBA-15 mesoporous support. X-ray photoelectron spectroscopy indicated that the as-synthesized Rh and Pt nanoparticles were mostly ...

It is well known that the addition of Ag into Pd can promote the selectivity of acetylene hydrogenation to ethylene, and early theoretical studies focus on ideal single crystal model catalysts, so it is worth studying relatively realistic catalyst models, such as metal oxide supported PdAg systems. In this work, the reaction mechanisms for acetylene selective hydrogenation on the anatase TiO2(1...

The discovery of ribozymes led to the proposal of an RNA world, where a single type of molecule was supposedly capable of self-replication and chemical catalysis. We show here that both autocatalysis and organocatalysis can be engineered into a synthetic structure. The compound is shown to selectively accelerate its own formation and catalyze either hydrogenation or nucleophilic addition to alp...

The catalytic asymmetric hydrogenation of heteroarenes has been intensively studied during the last decade. Nowadays, various heteroaromatics, for example, indoles, pyrroles, and quinolines, can be reduced to the corresponding chiral heterocycles with high stereoselectivity through asymmetric catalysis. Glorius and co-workers recently found that a chiral N-heterocyclic carbene–ruthenium catalys...

bond-order conservation-morse potential (boc-mp) method is used to carry out the calculationon the co2+ h20 system. one of the best catalysts for methanol synthesis in catalytic reductionof co2 with h2o is cu/zno/a1203 whose surface is supported by with some amount of pd orga. reduction of co2 with h20 on cu will result in methanol formation; while on ni will lead tomethane formation. in the me...

Two-dimensional (2D) transition metal dichalcogenides (TMDs) have been widely used from nanodevices to energy harvesting/storage because of their tunable physical and chemical properties. In this work, we systematically investigate the effects of hydrogenation on the structural, electronic, magnetic, and catalytic properties of 33 TMDs based on first-principles calculations. We find that the st...

A Sb/palygorskite (PAL) composite was synthesized by a facile solvothermal process and applied in catalytic hydrogenation of p-nitrophenol for the first time. It was found that the Sb nanoparticles with the sizes of 2-5 nm were well dispersed on the fiber of PAL, while partial aggregated Sb nanoparticles with sizes smaller than 200 nm were also loaded on the PAL. The Sb/PAL composite with 9.7% ...