Exploring pathways for activation of carbon monoxide by palladium iminophosphines

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

doi:10.1002/cplu.201300214

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 journal › Article › peer-review

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 Pdï£¿Me bond. Recent investigations into the Pd^II coordination of CO and C₂H₄ and their subsequent insertion into the Pdï£¿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 Pdï£¿ Me bond.

Original language	English
Pages (from-to)	1413-1420
Number of pages	8
Journal	ChemPlusChem
Volume	78
Issue number	11
DOIs	https://doi.org/10.1002/cplu.201300214
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)

Access to Document

10.1002/cplu.201300214

Cite this

@article{20bafc26014646619c32d551e9593e5c,

title = "Exploring pathways for activation of carbon monoxide by palladium iminophosphines",

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{\"i}£¿Me bond. Recent investigations into the PdII coordination of CO and C2H4 and their subsequent insertion into the Pd{\"i}£¿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{\"i}£¿ Me bond.",

keywords = "carbonylation, coordination chemistry, density functional calculations, N,P ligands, palladium iminophosphines",

author = "Navaratnarajah Kuganathan and Edward Veal and Green, {Malcolm L.H.} and Green, {Jennifer C.} and Pascu, {Sofia I.}",

year = "2013",

month = oct,

day = "22",

doi = "10.1002/cplu.201300214",

language = "English",

volume = "78",

pages = "1413--1420",

journal = "ChemPlusChem",

issn = "2192-6506",

publisher = "Wiley",

number = "11",

}

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 Pdï£¿Me bond. Recent investigations into the PdII coordination of CO and C2H4 and their subsequent insertion into the Pdï£¿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 Pdï£¿ 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 Pdï£¿Me bond. Recent investigations into the PdII coordination of CO and C2H4 and their subsequent insertion into the Pdï£¿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 Pdï£¿ 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

AN - SCOPUS:84887913748

VL - 78

SP - 1413

EP - 1420

JO - ChemPlusChem

JF - ChemPlusChem

SN - 2192-6506

IS - 11

ER -

Exploring pathways for activation of carbon monoxide by palladium iminophosphines

Abstract

Keywords

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this