Insight into the dual action mechanism of 3V-PPh₃ polymers as carriers and ligands in the Rh/3V-PPh₃ heterogeneous catalytic hydroformylation of ethylene to propionaldehyde

Abstract

Based on the experimentally confirmed porous vinyl-functionalized PPh3 (3V-PPh3) polymer supported Rh-based catalyst exhibited significant advantages of high activity, high stability and easy separation in the synthesis of propionaldehyde, which...

Concepts of Ethylene Carbonylation with Hydrogen Gas and In‐Situ Generated Hydrogen

“…[36][37][38] The Rh/POLÀ PPh 3 catalyst showed high activity and selectivity during ethylene hydroformylation while maintaining exceptional stability. The dual roles of the PPh 3 polymer as carriers and ligands were revealed by the QC method: the interaction between Rh and P in the monomer was the strongest, and vinyl enhanced the adsorption strength of RhÀ P. [39] Ethylene hydroformylation on Rh/POLÀ PPh 3 followed by reduction to npropanol has been industrialized in Hangzhou, China. [40]…”

Heterogeneous ethylene hydroformylation on polymer supported Rh-based catalysts: a DFT analysis of the mechanism and Rh–P effect

“…Therefore, there is an urgent need for new research methods as a supplement, in which the theoretical calculation method provides convenience for the research. In our previous study, 13 the electronic structure characteristics of two kinds of cross-linked 3V-PPh 3 polymer-supported Rh-based catalysts were studied by means of quantum chemistry (QC), and the interaction between 3V-PPh 3 and Rh was elucidated, which can lay the foundation for the investigation of the reaction mechanism of ethylene hydroformylation.…”