A theoretical study of the activity in Rh-catalyzed hydroformylation: the origin of the enhanced activity of the π-acceptor phosphinine ligand
The factors governing the activity in Rh-catalyzed hydroformylation were investigated using a set of computational tools. We performed DFT calculations on the phosphinine- modified Rh catalyst [HRh(CO)3(PC5H2R3)] and compared it to the phosphane-modified HRh(CO)3(PR3) and HRh(CO)2(PR3)2 complexes. T...
| Main Authors: | , , , , , |
|---|---|
| Format: | Article |
| Published: |
Royal Society of Chemistry
2014
|
| Online Access: | https://eprints.nottingham.ac.uk/29468/ |