Heterolytic CH Activation and Catalysis by an O-Donor Iridium−Hydroxo Complex
William J., III Tenn, Kenneth J. H. Young, Jonas Oxgaard, Robert J. Nielsen, William A. Goddard III, Roy A. Periana
2006Organometallics, 25(21), 5173-517577cited
Abstract
A well-defined, O-donor ligated iridium hydroxide complex is reported that is competent for benzene CH activation and long-lived catalytic H/D exchange between benzene and water. An inverse dependence of the H/D exchange rate on added pyridine, a kinetic isotope effect (KIE) of 2.65 ± 0.56 for CH activation with 1,3,5-trideuteriobenzene, a KIE of 1.07 ± 0.24 with C_6H_6/C_6D_6, and DFT calculations are consistent with the CH activation proceeding via rate-determining benzene coordination followed by fast CH cleavage via a σ-bond-metathesis transition state.
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Cite this publication
Tenn, W. J. I., Young, K. J. H., Oxgaard, J., Nielsen, R. J., III, W. A. G., & Periana, R. A. (2006). Heterolytic CH Activation and Catalysis by an O-Donor Iridium−Hydroxo Complex. *Organometallics*, *25*(21), 5173-5175. https://doi.org/10.1021/om060657e