Mechanistic Analysis of Iridium Heteroatom C−H Activation: Evidence for an Internal Electrophilic Substitution Mechanism
Jonas Oxgaard, William J., III Tenn, Robert J. Nielsen, Roy A. Periana, William A. Goddard III
2007Organometallics, 26(7), 1565-1567145cited
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.
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Cite this publication
Oxgaard, J., Tenn, W. J. I., Nielsen, R. J., Periana, R. A., & III, W. A. G. (2007). Mechanistic Analysis of Iridium Heteroatom C−H Activation: Evidence for an Internal Electrophilic Substitution Mechanism. *Organometallics*, *26*(7), 1565-1567. https://doi.org/10.1021/om061189b