Effect of the substituent on C–H activation catalyzed by a non-heme Fe(iv)O complex: a computational investigation of reactivity and hydrogen tunneling
Author:
Affiliation:
1. School of Chemistry and Biochemistry, Thapar Institute of Engineering and Technology, Patiala-147001, Punjab, India
Abstract
Funder
Ministry of Education, India
Thapar Institute of Engineering and Technology
Publisher
Royal Society of Chemistry (RSC)
Subject
Inorganic Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2022/DT/D2DT01529C
Reference67 articles.
1. Non-Heme Fe(IV)–Oxo Intermediates
2. The Road to Non-Heme Oxoferryls and Beyond
3. High-Valent Iron(IV)–Oxo Complexes of Heme and Non-Heme Ligands in Oxygenation Reactions
4. Formation, Structure, and EPR Detection of a High Spin FeIV—Oxo Species Derived from Either an FeIII—Oxo or FeIII—OH Complex
5. Tuning Reactivity and Mechanism in Oxidation Reactions by Mononuclear Nonheme Iron(IV)-Oxo Complexes
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1. Impact of ring size on the C H activation reactivity of iron(IV)–oxo complexes: A computational study with TMC macrocycles;Inorganica Chimica Acta;2024-11
2. Hydrogen Tunneling Exhibiting Unexpectedly Small Primary Kinetic Isotope Effects;Chemistry – A European Journal;2024-05-24
3. Impact of carboxylate ligation on the C–H activation reactivity of a non-heme Fe(iv)O complex: a computational investigation;Dalton Transactions;2024
4. A density functional theory analysis of the C–H activation reactivity of iron(iv)-oxo complexes with an ‘O’ substituted tetramethylcyclam macrocycle;Dalton Transactions;2024
5. Data-driven ligand field exploration of Fe(iv)–oxo sites for C–H activation;Inorganic Chemistry Frontiers;2023
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