Oxgaard, Jonas and Tenn, William J., III and Nielsen, Robert J. and Periana, Roy A. and Goddard, William A., III (2007) Mechanistic Analysis of Iridium Heteroatom C−H Activation: Evidence for an Internal Electrophilic Substitution Mechanism. Organometallics, 26 (7). pp. 1565-1567. ISSN 0276-7333. doi:10.1021/om061189b. https://resolver.caltech.edu/CaltechAUTHORS:20170725-110427930
![]() |
PDF
- Supplemental Material
See Usage Policy. 80kB |
Use this Persistent URL to link to this item: https://resolver.caltech.edu/CaltechAUTHORS:20170725-110427930
Abstract
The mechanism responsible for C−H activation in Ir(acac)_2(OCH_3)(C_6H_6) has been identified and described as an internal electrophilic substitution (IES) mechanism, on the basis of orbital changes and predicted reactivity. In this IES mechanism, the lone pair on a M−X ligand forms an X−H bond, while the orbital making up the M−X bond turns into a coordinating lone pair.
Item Type: | Article | ||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Related URLs: |
| ||||||||||||
ORCID: |
| ||||||||||||
Additional Information: | © 2007 American Chemical Society. Received 29 December 2006. Published online 23 February 2007. Published in print 1 March 2007. We thank Chevron Energy Technology Co., the National Science Foundation (Grant No. CHE-0328121), and the ONR (Grant No. MURI-N00014-02-1-0665) for financial support. | ||||||||||||
Funders: |
| ||||||||||||
Issue or Number: | 7 | ||||||||||||
DOI: | 10.1021/om061189b | ||||||||||||
Record Number: | CaltechAUTHORS:20170725-110427930 | ||||||||||||
Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20170725-110427930 | ||||||||||||
Official Citation: | Mechanistic Analysis of Iridium Heteroatom C−H Activation: Evidence for an Internal Electrophilic Substitution Mechanism Jonas Oxgaard, William J. Tenn, III, Robert J. Nielsen, Roy A. Periana, and William A. Goddard, III Organometallics 2007 26 (7), 1565-1567 DOI: 10.1021/om061189b | ||||||||||||
Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | ||||||||||||
ID Code: | 79335 | ||||||||||||
Collection: | CaltechAUTHORS | ||||||||||||
Deposited By: | Ruth Sustaita | ||||||||||||
Deposited On: | 25 Jul 2017 18:22 | ||||||||||||
Last Modified: | 15 Nov 2021 17:47 |
Repository Staff Only: item control page