Kinetic modelling of regioselectivity in alkenes hydroformylation over rhodium

Propene hydroformylation was performed with rhodium triphenylphosphine catalyst with hydrogen and CO partial pressure varied in the range of 8–15 bar. The regioselectivity was independent on the concentration of reactants, displaying dependence only on the ligand concentration. A kinetic model was proposed based on the mechanism of alkene hydroformylation and compared with experimental observations. Numerical data fitting was performed showing good correspondence of reaction rates and regioselectivity with experimental data.

Graphical abstractPropene hydroformylation was performed with rhodium triphenylphosphine catalyst varying hydrogen and CO partial pressure in the range of 8–15 bar. The regioselectivity was independent on the concentration of reactants, displaying dependence on the ligand concentration. A kinetic model was proposed based on the mechanism of alkene hydroformylation and compared with experimental observations. Numerical data fitting was performed showing good correspondence of reaction rates and isoselectivity with experimental data.Figure optionsDownload full-size imageDownload high-quality image (164 K)Download as PowerPoint slide