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Dr. Navaratnarajah Kuganathan, Edward Veal, Prof. Malcolm L. H. Green, Prof. Jennifer C. Green and Dr. Sofia I. Pascu Exploring Pathways for Activation of Carbon Monoxide by Palladium Iminophosphines ChemPlusChem 78

Version of Record online: 22 OCT 2013 | DOI: 10.1002/cplu.201300214

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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 C2H4, occurs through an associative mechanism involving CO/ligand exchange, followed by migratory insertion of CO into the Pd[BOND]Me bond.

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