Search results for "hydrogenation catalysis"
showing 3 items of 3 documents
Enantioselective Hydrogenation Catalysis Aided by a σ-Bonded Calix[4]arene to a P-Chirogenic Aminophosphane Phosphinite Rhodium Complex
2010
The first P-chirogenic aminophosphane−phosphinite (AMP*P) ligand (4a) supported on the upper rim of a calix[4]arene moiety was synthesized in two steps using the ephedrine methodology. Ligand 4a wa...
Switch in Relative Stability between cis and trans 2-Butene on Pt(111) as a Function of Experimental Conditions: A Density Functional Theory Study
2018
International audience; The adsorption of cis and trans 2-butenes on Pt(111) has been studied as a function of hydrogen coverage OH by means of calculations based on density functional theory (DFT) with the inclusion of dispersion forces. All hydrogen coverages have been considered, from 0 to 1.00 monolayer (ML). For each case, the di-sigma and pi adsorption geometries of the olefins have been compared at a surface coverage of theta(C4H8) = 0.11 ML. Calculations of the Gibbs free energies of these systems have identified the most stable 2-butene isomer (cis or trans) as a function of coverage, temperature, and pressure. In particular, focus was placed on two sets of conditions, namely, one …
Diastereomeric control of enantioselectivity: evidence for metal cluster catalysis
2014
Enantioselective hydrogenation of tiglic acid effected by diastereomers of the general formula [(μ-H)2Ru3(μ3-S)(CO)7(μ-P–P*)] (P–P* = chiral Walphos diphosphine ligand) strongly supports catalysis by intact Ru3 clusters. A catalytic mechanism involving Ru3 clusters has been established by DFT calculations. peerReviewed