Mechanistic insights into intramolecular ortho-amination/hydroxylation by nonheme FeIV![[double bond, length as m-dash]](https://www.rsc.org/images/entities/char_e001.gif)
NTs/FeIVO species: the σ vs. the π channels†
Abstract
Comparative oxidative abilities of nonheme FeIVNTs and FeIVO species using DFT has been explored. Our calculations reveal that the FeIVNTs is found to be a stronger oxidant in two electron transfer reactions and react exclusively via π channels while the FeIVO 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](/en/Image/Get?imageInfo.ImageType=GA&imageInfo.ImageIdentifier.ManuscriptID=C6CC08761B&imageInfo.ImageIdentifier.Year=2017)
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![[double bond, length as m-dash]](https://www.rsc.org/images/entities/h2_char_e001.gif)
NTs/FeIV
