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 |
|---|---|
| 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 |
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Keywords
- carbonylation
- coordination chemistry
- density functional calculations
- N,P ligands
- palladium iminophosphines
ASJC Scopus subject areas
- Chemistry(all)
Cite this
Exploring pathways for activation of carbon monoxide by palladium iminophosphines. / Kuganathan, Navaratnarajah; Veal, Edward; Green, Malcolm L.H.; Green, Jennifer C.; Pascu, Sofia I.
In: ChemPlusChem, Vol. 78, No. 11, 22.10.2013, p. 1413-1420.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Exploring pathways for activation of carbon monoxide by palladium iminophosphines
AU - Kuganathan, Navaratnarajah
AU - Veal, Edward
AU - Green, Malcolm L.H.
AU - Green, Jennifer C.
AU - Pascu, Sofia I.
PY - 2013/10/22
Y1 - 2013/10/22
N2 - 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.
AB - 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.
KW - carbonylation
KW - coordination chemistry
KW - density functional calculations
KW - N,P ligands
KW - palladium iminophosphines
UR - http://www.scopus.com/inward/record.url?scp=84887913748&partnerID=8YFLogxK
U2 - 10.1002/cplu.201300214
DO - 10.1002/cplu.201300214
M3 - Article
VL - 78
SP - 1413
EP - 1420
JO - ChemPlusChem
JF - ChemPlusChem
SN - 2192-6506
IS - 11
ER -