Exploring pathways for activation of carbon monoxide by palladium iminophosphines

Navaratnarajah Kuganathan, Edward Veal, Malcolm L.H. Green, Jennifer C. Green, Sofia I. Pascu

Research output: Contribution to journalArticle

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 languageEnglish
Pages (from-to)1413-1420
Number of pages8
JournalChemPlusChem
Volume78
Issue number11
DOIs
Publication statusPublished - 22 Oct 2013
Externally publishedYes

Keywords

  • carbonylation
  • coordination chemistry
  • density functional calculations
  • N,P ligands
  • palladium iminophosphines

ASJC Scopus subject areas

  • Chemistry(all)

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