Abstract
DFT calculations on palladium(II) methyl complexes incorporating P/N ligands demonstrate that CO activation in the presence of competing ligands, such as CH3CN or C2H4, occurs through an associative mechanism involving CO/ligand exchange, followed by migratory insertion of CO into the PdMe bond. Recent investigations into the PdII coordination of CO and C2H4 and their subsequent insertion into the PdMe bonds of complexes of the type [PdMe(iminophosphine)(NCMe)]+ are reported. A competitive advantage: DFT calculations on methyl-substituted palladium(II) complexes incorporating P/N ligands demonstrate that CO activation in the presence of competing ligands, such as CH3CN or C2H 4, occurs through an associative mechanism involving CO/ligand exchange, followed by migratory insertion of CO into the Pd Me bond.
Original language | English |
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Pages (from-to) | 1413-1420 |
Number of pages | 8 |
Journal | ChemPlusChem |
Volume | 78 |
Issue number | 11 |
DOIs | |
Publication status | Published - 22 Oct 2013 |
Externally published | Yes |
Keywords
- carbonylation
- coordination chemistry
- density functional calculations
- N,P ligands
- palladium iminophosphines
ASJC Scopus subject areas
- Chemistry(all)