A Theoretical Study on Methane C—H Bond Activation by Bare [FeO]+/0/–-Reference-Cited by-同舟云学术

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A Theoretical Study on Methane C—H Bond Activation by Bare [FeO]+/0/–

Published:2017-04-13 Issue:18 Volume:121 Page:3501-3514
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Wang Yang¹,Sun Xiaoli¹^ORCID,Zhang Jun²^ORCID,Li Jilai¹³^ORCID

Affiliation:

1. Institute of Theoretical Chemistry, Jilin University, Changchun 130023, People’s Republic of China

2. Department of Chemistry, University of Illinois at Urbana−Champaign, Urbana, Illinois 61801, United States

3. Institut für Chemie, Technische Universität Berlin, Straße des 17. Juni 135, 10623 Berlin, Germany

Funder

China Postdoctoral Science Foundation

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.6b13113

Reference123 articles.

1. Computation and Experiment: A Powerful Combination to Understand and Predict Reactivities

2. Substrate Sulfoxidation by an Iron(IV)-Oxo Complex: Benchmarking Computationally Calculated Barrier Heights to Experiment

3. Quantum Chemical Studies of Mechanisms for Metalloenzymes

4. Electronic Origins of the Variable Efficiency of Room-Temperature Methane Activation by Homo- and Heteronuclear Cluster Oxide Cations [XYO2]+ (X, Y = Al, Si, Mg): Competition between Proton-Coupled Electron Transfer and Hydrogen-Atom Transfer

5. Mechanistic Variants in Gas-Phase Metal-Oxide Mediated Activation of Methane at Ambient Conditions

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4. Room-Temperature Conversion of Methane to Methanediol by [FeO₂]⁺;The Journal of Physical Chemistry Letters;2023-02-08

5. Reaction of Ta₃^– Clusters with Molecular Nitrogen: A Mechanism Investigation;ACS Omega;2022-06-21

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