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The mechanism of CO2 insertion into iridium(I) hydroxide and alkoxide bonds : a kinetics and computational study

Byron J Truscott, Hedi Kruger, Paul B Webb, Michael Buehl and Steven Nolan (UGent)
(2015) CHEMISTRY-A EUROPEAN JOURNAL. 21(18). p.6930-6935
Author
Organization
Abstract
The facile insertion of CO2 into iridium(I) hydroxide, alkoxide, and amide bonds was recently reported. In particular, [Ir(cod)(IiPr)(OH)] (IiPr=1,3-bis(isopropyl) imidazol-2-ylidene) reacted with CO2 in solution and in the solid state in a matter of minutes to give the novel [{Ir(cod)(IiPr)}(2)(mu-kappa O-1:kappa O-2,O-CO3)] complex. In the present study, this reaction is probed using kinetics and theoretical studies, which enabled us to analyse its facile nature and to fully elucidate the reaction mechanism with excellent correlation between the two methods.
Keywords
carbon dioxide, iridium, kinetics, mechanistic studies, thermodynamics, TRANSITION-METAL-COMPLEXES, DIOXIDE COORDINATION CHEMISTRY, CONTINUUM SOLVATION MODELS, DENSITY-FUNCTIONAL THEORY, CARBON-DIOXIDE, DISPERSION CORRECTIONS, SMALL-MOLECULE, ACTIVATION, FIXATION, REACTIVITY

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Chicago
Truscott, Byron J, Hedi Kruger, Paul B Webb, Michael Buehl, and Steven Nolan. 2015. “The Mechanism of CO2 Insertion into iridium(I) Hydroxide and Alkoxide Bonds : a Kinetics and Computational Study.” Chemistry-a European Journal 21 (18): 6930–6935.
APA
Truscott, B. J., Kruger, H., Webb, P. B., Buehl, M., & Nolan, S. (2015). The mechanism of CO2 insertion into iridium(I) hydroxide and alkoxide bonds : a kinetics and computational study. CHEMISTRY-A EUROPEAN JOURNAL, 21(18), 6930–6935.
Vancouver
1.
Truscott BJ, Kruger H, Webb PB, Buehl M, Nolan S. The mechanism of CO2 insertion into iridium(I) hydroxide and alkoxide bonds : a kinetics and computational study. CHEMISTRY-A EUROPEAN JOURNAL. 2015;21(18):6930–5.
MLA
Truscott, Byron J, Hedi Kruger, Paul B Webb, et al. “The Mechanism of CO2 Insertion into iridium(I) Hydroxide and Alkoxide Bonds : a Kinetics and Computational Study.” CHEMISTRY-A EUROPEAN JOURNAL 21.18 (2015): 6930–6935. Print.
@article{8168312,
  abstract     = {The facile insertion of CO2 into iridium(I) hydroxide, alkoxide, and amide bonds was recently reported. In particular, [Ir(cod)(IiPr)(OH)] (IiPr=1,3-bis(isopropyl) imidazol-2-ylidene) reacted with CO2 in solution and in the solid state in a matter of minutes to give the novel [\{Ir(cod)(IiPr)\}(2)(mu-kappa O-1:kappa O-2,O-CO3)] complex. In the present study, this reaction is probed using kinetics and theoretical studies, which enabled us to analyse its facile nature and to fully elucidate the reaction mechanism with excellent correlation between the two methods.},
  author       = {Truscott, Byron J and Kruger, Hedi and Webb, Paul B and Buehl, Michael and Nolan, Steven},
  issn         = {0947-6539},
  journal      = {CHEMISTRY-A EUROPEAN JOURNAL},
  keyword      = {carbon dioxide,iridium,kinetics,mechanistic studies,thermodynamics,TRANSITION-METAL-COMPLEXES,DIOXIDE COORDINATION CHEMISTRY,CONTINUUM SOLVATION MODELS,DENSITY-FUNCTIONAL THEORY,CARBON-DIOXIDE,DISPERSION CORRECTIONS,SMALL-MOLECULE,ACTIVATION,FIXATION,REACTIVITY},
  language     = {eng},
  number       = {18},
  pages        = {6930--6935},
  title        = {The mechanism of CO2 insertion into iridium(I) hydroxide and alkoxide bonds : a kinetics and computational study},
  url          = {http://dx.doi.org/10.1002/chem.201406509},
  volume       = {21},
  year         = {2015},
}
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