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

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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 languageEnglish (US)
Pages (from-to)202-210
Number of pages9
JournalOrganometallics
Volume27
Issue number2
DOIs
StatePublished - Jan 28 2008

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ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry

Cite this

Kelly, R. A., Clavier, H., Giudice, S., Scott, N. M., Stevens, E. D., Bordner, J., Samardjiev, I., Hoff, C. D., Cavallo, L., & Nolan, S. P. (2008). Determination of N-heterocyclic carbene (NHC) steric and electronic parameters using the [(NHC)Ir(CO)2Cl] system. Organometallics, 27(2), 202-210. https://doi.org/10.1021/om701001g