The design and synthesis of effective enantioselective catalysts for hydrogenation of simple ketones remains a challenging problem.1 Recently, Noyori2 disclosed a ternary catalyst system consisting of Ru-BINAP-chiral diamine-KOH, which is highly efficient in the asymmetric hydrogenation of a variety of simple ketones lacking a secondary coordinating functional group. We have developed rhodium c...

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...

Ni catalysts supported on Nano porous catalysts were prepared by the impregnation method and tested for vapor phase hydrogenation of benzene. The textural and physico-chemical properties of Ni catalysts were characterized by the X-ray diffraction, Fourier-transform infrared spectroscopy, scanning electron microscope and N2 adsorption-desorption analysis. The catalytic evaluation reve...

The kinetics of toluene hydrogenation over Ni-supported catalysts with various supports was investigated under the wide range of conditions as 130 to 210 °C reaction temperature, 2.6×10-5 to 5.9×10-5 atm partial pressure of hydrogen and 1.4×10-9 to 3.7×10-8 atm partial pressure of toluene. For more study, two kinetics models were also selected and studied to describe the kinetics of this proces...

The heterogeneously catalyzed selective-hydrogenation of citral is one of the more feasible ways for obtaining its appreciated unsaturated-alcohols, nerol and geraniol, which are present in over 250 essential oils. Thus, citral has very recently come to be produced petro-chemically in very large quantities, and so partial hydrogenation of citral has become a very economical route for the produc...

Wrinkles as intrinsic topological feature have been expected to affect the electrical and mechanical properties of atomically thin graphene. Molecular dynamics simulations are adopted to investigate the wrinkling characteristics in hydrogenated graphene annulus under circular shearing at the inner edge. The amplitude of wrinkles induced by in-plane rotation around the inner edge is sensitive to...

The one-pot synthesis of butanol and heptanol from propene and 1-hexene, respectively, was performed using Ru3(PPh3)Cl2 and Rh(CO)2(acac) in the presence of triphenylphosphene. The effects of various reaction parameters, including catalyst concentration, gas partial pressures, and temperature, were investigated. Two methods for performing the one-pot synthesis were developed and are discussed. ...

The sensitivity, or insensitivity, of catalysed reactions to catalyst structure is a commonly employed fundamental concept. Here we report on the nature of nano-catalysed ethylene hydrogenation, investigated through experiments on size-selected Ptn (n=8-15) clusters soft-landed on magnesia and first-principles simulations, yielding benchmark information about the validity of structure sensitivi...

Ceria (CeO2) nanorods with well-defined surface planes can be synthesized and utilized for the hydrogenation of nitroaromatics. The CeO2 nanorods containing a {110} plane can efficiently and selectively catalyse the hydrogenation of nitroaromatics with N2H4 as a reducing agent, while nano-ceria with a {100} or {111} plane shows poor performance for the reaction.

The γ-amino alcohol structural motif is often encountered in drugs and natural products. We developed two complementary catalytic diastereoselective methods for the synthesis of N-PMP-protected γ-amino alcohols from the corresponding ketones. The anti-products were obtained through Ir-catalyzed asymmetric transfer hydrogenation, the syn-products via Rh-catalyzed asymmetric hydrogenation.