The mechanism of CO2 insertion into iridium(I) hydroxide and alkoxide bonds : a kinetics and computational study
- Author
- Byron J Truscott, Hedi Kruger, Paul B Webb, Michael Buehl and Steven Nolan (UGent)
- 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
Citation
Please use this url to cite or link to this publication: http://hdl.handle.net/1854/LU-8168312
- MLA
- Truscott, Byron J., et al. “The Mechanism of CO2 Insertion into Iridium(I) Hydroxide and Alkoxide Bonds : A Kinetics and Computational Study.” CHEMISTRY-A EUROPEAN JOURNAL, vol. 21, no. 18, 2015, pp. 6930–35.
- 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.
- Chicago author-date
- 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): 6930–35.
- Chicago author-date (all authors)
- 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.
- 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.
- IEEE
- [1]B. J. Truscott, H. Kruger, P. B. Webb, M. Buehl, and S. Nolan, “The mechanism of CO2 insertion into iridium(I) hydroxide and alkoxide bonds : a kinetics and computational study,” CHEMISTRY-A EUROPEAN JOURNAL, vol. 21, no. 18, pp. 6930–6935, 2015.
@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},
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},
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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