Prospects of Heterogeneous Hydroformylation with Supported Single Atom Catalysts
Jonas Amsler, Bidyut Bikash Sarma, Giovanni Agostini, Gonzalo Prieto, Philipp N. Pleßow, Felix Studt
Abstract
(111) have catalytic activities comparable to those of molecular complexes. For a step edge on a MgO(301) surface, however, calculations show a significantly reduced catalytic activity. At the same time, calculations predict that stronger adsorption at the higher coordinated adsorption site leads to a more stable catalyst. Keeping the balance between stability and activity appears to be the main challenge for oxide supported Rh hydroformylation catalysts. In addition to the chemical bonding between rhodium complex and support, the confinement experienced by the active site plays an important role for the catalytic activity.
Topics & Concepts
RhodiumChemistryHydroformylationCatalysisOxideReactivity (psychology)Heterogeneous catalysisNatural bond orbitalAdsorptionInorganic chemistryPhysical chemistryCrystallographyPhotochemistryComputational chemistryDensity functional theoryOrganic chemistryPathologyMedicineAlternative medicineNanocluster Synthesis and ApplicationsOrganometallic Complex Synthesis and CatalysisNanomaterials for catalytic reactions