Direct dynamics analysis of the cationic Cp*(PMe3)Ir(CH3) methane C–H activation mechanism
Author:
Affiliation:
1. Department of Chemistry and Biochemistry
2. Brigham Young University
3. Provo
4. USA
Abstract
Quasiclassical direct dynamics reveal a dynamical one-step organometallic mechanism for the σ-bond metathesis reaction between Cp*(PMe3)IrIII(CH3) and methane.
Funder
Brigham Young University
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2019/FD/C9FD00035F
Reference15 articles.
1. Facile intermolecular activation of carbon-hydrogen bonds in methane and other hydrocarbons and silicon-hydrogen bonds in silanes with the iridium(III) complex Cp*(PMe3)Ir(CH3)(OTf)
2. Unusually Mild and Selective Hydrocarbon C-H Bond Activation with Positively Charged Iridium(III) Complexes
3. Synthesis of Fischer Carbene Complexes of Iridium by C−H Bond Activation of Methyl and Cyclic Ethers: Evidence for Reversible α-Hydrogen Migration
4. Synthesis and C−H Activation Reactions of Cyclometalated Complexes of Ir(III): Cp*(PMe3)Ir(CH3)+ Does Not Undergo Intermolecular C−H Activation in Solution via a Cyclometalated Intermediate
5. Modeling the Proposed Intermediate in Alkane Carbon−Hydrogen Bond Activation by Cp*(PMe3)Ir(Me)OTf: Synthesis and Stability of Novel Organometallic Iridium(V) Complexes
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