Determination of N-Heterocyclic Carbene [NHC] Steric and electronic parameters using the [(NHC)Ir(CO)2Cl] system

RA Kelly III; H Clavier; S Giudice; NM Scott; ED Stevens; J Bordner; I Samardjiev; CD Hoff; L Cavallo; Steven Patrick Nolan

doi:10.1021/om701001g

Determination of N-Heterocyclic Carbene [NHC] Steric and electronic parameters using the [(NHC)Ir(CO)₂Cl] system

RA Kelly III, H Clavier, S Giudice, NM Scott, ED Stevens, J Bordner, I Samardjiev, CD Hoff, L Cavallo, Steven Patrick Nolan

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Abstract

Complexes of iridium bearing NHC (NHC = N-heterocyclic carbene) ligands were synthesized and fully characterized. The series [(NHC)Ir(cod)Cl] were obtained by simple cleavage of [Ir(cod)Cl](2). The [(NHC)Ir(cod)Cl] complexes were reacted with excess carbon monoxide, leading to [(NHC)Ir(CO)(2)Cl]. The infrared carbonyl stretching frequencies of these were recorded to quantify the electronic parameter of NHC ligands. X-ray diffraction study results allow for determination of NHC steric parameters within this series. These data allow for comparison with other ligand families.

Original language	English
Pages (from-to)	202-210
Number of pages	9
Journal	Organometallics
Volume	27
Issue number	2
Early online date	27 Dec 2007
DOIs	https://doi.org/10.1021/om701001g
Publication status	Published - 28 Jan 2008

Keywords

Olefin-Metathesis Catalysts
Metal-Complexes
Iridium Complexes
Room-Temperature
Suzuki-Miyaura
Structural Investigations
Phospha-Palladacycles
Homogeneous Catalysis
Buchwald-Hartwig
Ligands

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10.1021/om701001g

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title = "Determination of N-Heterocyclic Carbene [NHC] Steric and electronic parameters using the [(NHC)Ir(CO)2Cl] system",

abstract = "Complexes of iridium bearing NHC (NHC = N-heterocyclic carbene) ligands were synthesized and fully characterized. The series [(NHC)Ir(cod)Cl] were obtained by simple cleavage of [Ir(cod)Cl](2). The [(NHC)Ir(cod)Cl] complexes were reacted with excess carbon monoxide, leading to [(NHC)Ir(CO)(2)Cl]. The infrared carbonyl stretching frequencies of these were recorded to quantify the electronic parameter of NHC ligands. X-ray diffraction study results allow for determination of NHC steric parameters within this series. These data allow for comparison with other ligand families.",

keywords = "Olefin-Metathesis Catalysts, Metal-Complexes, Iridium Complexes, Room-Temperature, Suzuki-Miyaura, Structural Investigations, Phospha-Palladacycles, Homogeneous Catalysis, Buchwald-Hartwig, Ligands",

author = "\{Kelly III\}, RA and H Clavier and S Giudice and NM Scott and ED Stevens and J Bordner and I Samardjiev and CD Hoff and L Cavallo and Nolan, \{Steven Patrick\}",

year = "2008",

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day = "28",

doi = "10.1021/om701001g",

language = "English",

volume = "27",

pages = "202--210",

journal = "Organometallics",

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TY - JOUR

T1 - Determination of N-Heterocyclic Carbene [NHC] Steric and electronic parameters using the [(NHC)Ir(CO)2Cl] system

AU - Kelly III, RA

AU - Clavier, H

AU - Giudice, S

AU - Scott, NM

AU - Stevens, ED

AU - Bordner, J

AU - Samardjiev, I

AU - Hoff, CD

AU - Cavallo, L

AU - Nolan, Steven Patrick

PY - 2008/1/28

Y1 - 2008/1/28

N2 - Complexes of iridium bearing NHC (NHC = N-heterocyclic carbene) ligands were synthesized and fully characterized. The series [(NHC)Ir(cod)Cl] were obtained by simple cleavage of [Ir(cod)Cl](2). The [(NHC)Ir(cod)Cl] complexes were reacted with excess carbon monoxide, leading to [(NHC)Ir(CO)(2)Cl]. The infrared carbonyl stretching frequencies of these were recorded to quantify the electronic parameter of NHC ligands. X-ray diffraction study results allow for determination of NHC steric parameters within this series. These data allow for comparison with other ligand families.

AB - Complexes of iridium bearing NHC (NHC = N-heterocyclic carbene) ligands were synthesized and fully characterized. The series [(NHC)Ir(cod)Cl] were obtained by simple cleavage of [Ir(cod)Cl](2). The [(NHC)Ir(cod)Cl] complexes were reacted with excess carbon monoxide, leading to [(NHC)Ir(CO)(2)Cl]. The infrared carbonyl stretching frequencies of these were recorded to quantify the electronic parameter of NHC ligands. X-ray diffraction study results allow for determination of NHC steric parameters within this series. These data allow for comparison with other ligand families.

KW - Olefin-Metathesis Catalysts

KW - Metal-Complexes

KW - Iridium Complexes

KW - Room-Temperature

KW - Suzuki-Miyaura

KW - Structural Investigations

KW - Phospha-Palladacycles

KW - Homogeneous Catalysis

KW - Buchwald-Hartwig

KW - Ligands

UR - https://www.scopus.com/pages/publications/38949179137

U2 - 10.1021/om701001g

DO - 10.1021/om701001g

M3 - Article

SN - 0276-7333

VL - 27

SP - 202

EP - 210

JO - Organometallics

JF - Organometallics

IS - 2

ER -

Determination of N-Heterocyclic Carbene [NHC] Steric and electronic parameters using the [(NHC)Ir(CO)₂Cl] system

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Keywords

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