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Issue 22, 2017
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Mechanistic insights into intramolecular ortho-amination/hydroxylation by nonheme FeIV[double bond, length as m-dash]NTs/FeIV[double bond, length as m-dash]O species: the σ vs. the π channels

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Abstract

Comparative oxidative abilities of nonheme FeIV[double bond, length as m-dash]NTs and FeIV[double bond, length as m-dash]O species using DFT has been explored. Our calculations reveal that the FeIV[double bond, length as m-dash]NTs is found to be a stronger oxidant in two electron transfer reactions and react exclusively via π channels while the FeIV[double bond, length as m-dash]O species is found to be a stronger oxidant when the σ-pathway is activated such as in HAT reactions.

Graphical abstract: Mechanistic insights into intramolecular ortho-amination/hydroxylation by nonheme FeIV [[double bond, length as m-dash]] NTs/FeIV [[double bond, length as m-dash]] O species: the σ vs. the π channels

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Article information


Submitted
01 Nov 2016
Accepted
11 Feb 2017
First published
13 Feb 2017

Chem. Commun., 2017,53, 3193-3196
Article type
Communication

Mechanistic insights into intramolecular ortho-amination/hydroxylation by nonheme FeIV[double bond, length as m-dash]NTs/FeIV[double bond, length as m-dash]O species: the σ vs. the π channels

B. Pandey, M. Jaccob and G. Rajaraman, Chem. Commun., 2017, 53, 3193
DOI: 10.1039/C6CC08761B

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