Published October 9, 2006
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Heterolytic CH Activation and Catalysis by an O-Donor Iridium−Hydroxo Complex
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.
Additional Information
© 2006 American Chemical Society. Received 21 July 2006. Published online 2 September 2006. Published in print 1 October 2006. We acknowledge Dr. M. Yousufuddin and Prof. Robert Bau for solving the crystal structure of 1 and Vadim R. Ziatdinov for helpful discussions. We thank the National Science Foundation (Grant No. CHE-0328121) and Chevron Energy Research & Technology Co. for financial support for this research.Attached Files
Supplemental Material - om060657esi20060721_015748.pdf
Supplemental Material - om060657esi20060721_015804.cif
Supplemental Material - om060657esi20060821_114015.pdf
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om060657esi20060721_015748.pdf
Additional details
- Eprint ID
- 79334
- DOI
- 10.1021/om060657e
- Resolver ID
- CaltechAUTHORS:20170725-105419764
- CHE-0328121
- NSF
- Chevron Energy Research & Technology Co.
- Created
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2017-07-25Created from EPrint's datestamp field
- Updated
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2021-11-15Created from EPrint's last_modified field