Determining the inherent selectivity for carbon radical hydroxylation <i>versus</i> halogenation with high-spin oxoiron(<scp>iv</scp>)–halide complexes: a concerted rebound step-Reference-Cited by-同舟云学术

Determining the inherent selectivity for carbon radical hydroxylation versus halogenation with high-spin oxoiron(iv)–halide complexes: a concerted rebound step

Published:2022 Issue:16 Volume:12 Page:9891-9897
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Tao Yaping¹^ORCID,Li Zixian²,Zhang Yiman¹,Sun kexi¹,Liu Zhaojun¹^ORCID

Affiliation:

1. College of Physics and Electronic Information & Henan Key Laboratory of Electromagnetic Transformation and Detection, Luoyang Normal University, Luoyang 471934, China

2. State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China

Abstract

DFT calculation for the hydroxylation versus halogenation of propylene by [FeIV(O)(TQA)X]+ (X = F, Cl and Br) reveals that after hydrogen abstraction, halogen and oxygen rebound reactions are a synergistic process.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/RA/D2RA01384C

Reference53 articles.

1. Selective Catalytic Oxidation of CH Bonds with Molecular Oxygen

2. Catalytic Mechanisms of Fe(II)- and 2-Oxoglutarate-dependent Oxygenases

3. From The Cover: SyrB2 in syringomycin E biosynthesis is a nonheme FeII -ketoglutarate- and O2-dependent halogenase

4. Structural Analysis of an Open Active Site Conformation of Nonheme Iron Halogenase CytC3

5. A new family of iron-dependent halogenases acts on freestanding substrates

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