Determination of N-heterocyclic carbene (NHC) steric and electronic parameters using the [(NHC)Ir(CO)2Cl] system

Roy A. Kelly; Hervé Clavier; Simona Giudice; Natalie M. Scott; Edwin D. Stevens; Jon Bordner; Ivan Samardjiev; Carl D. Hoff; Luigi Cavallo; Steven P. Nolan

doi:10.1021/om701001g

Determination of N-heterocyclic carbene (NHC) steric and electronic parameters using the [(NHC)Ir(CO)₂Cl] system

Roy A. Kelly, Hervé Clavier, Simona Giudice, Natalie M. Scott, Edwin D. Stevens, Jon Bordner, Ivan Samardjiev, Carl D. Hoff, Luigi Cavallo, Steven P. Nolan^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

516 Scopus citations

Abstract

Complexes of iridium bearing NHC (NHC = N-heterocyclic carbene) ligands were synthesized and fully characterized. The series [(NHQIr(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) ₂Cl]. 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 orner ligand families.

Original language	English (US)
Pages (from-to)	202-210
Number of pages	9
Journal	Organometallics
Volume	27
Issue number	2
DOIs	https://doi.org/10.1021/om701001g
State	Published - Jan 28 2008
Externally published	Yes

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Organic Chemistry
Inorganic Chemistry

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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 [(NHQIr(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) 2Cl]. 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 orner ligand families.",

author = "Kelly, {Roy A.} and Herv{\'e} Clavier and Simona Giudice and Scott, {Natalie M.} and Stevens, {Edwin D.} and Jon Bordner and Ivan Samardjiev and Hoff, {Carl D.} and Luigi Cavallo and Nolan, {Steven P.}",

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doi = "10.1021/om701001g",

language = "English (US)",

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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, Roy A.

AU - Clavier, Hervé

AU - Giudice, Simona

AU - Scott, Natalie M.

AU - Stevens, Edwin D.

AU - Bordner, Jon

AU - Samardjiev, Ivan

AU - Hoff, Carl D.

AU - Cavallo, Luigi

AU - Nolan, Steven P.

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 [(NHQIr(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) 2Cl]. 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 orner ligand families.

AB - Complexes of iridium bearing NHC (NHC = N-heterocyclic carbene) ligands were synthesized and fully characterized. The series [(NHQIr(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) 2Cl]. 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 orner ligand families.

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U2 - 10.1021/om701001g

DO - 10.1021/om701001g

M3 - Article

AN - SCOPUS:38949179137

SN - 0276-7333

VL - 27

SP - 202

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JO - Organometallics

JF - Organometallics

IS - 2

ER -

Determination of N-heterocyclic carbene (NHC) steric and electronic parameters using the [(NHC)Ir(CO)₂Cl] system

Abstract

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