Direct dynamics analysis of the cationic Cp*(PMe3)Ir(CH3) methane C–H activation mechanism-Reference-Cited by-同舟云学术

Direct dynamics analysis of the cationic Cp*(PMe3)Ir(CH3) methane C–H activation mechanism

Published:2019 Issue: Volume:220 Page:414-424
ISSN:1359-6640
Container-title:Faraday Discussions
language:en
Short-container-title:Faraday Discuss.

Author:

Carlsen Ryan¹²³⁴,Jenkins Jordan R.¹²³⁴,Ess Daniel H.¹²³⁴^ORCID

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)Ir^III(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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