Mechanistic insights into intramolecular ortho-amination/hydroxylation by nonheme FeIVNTs/FeIVO species: the σ vs. the π channels

Bhawana Pandey; Madhavan Jaccob; Gopalan Rajaraman

doi:10.1039/C6CC08761B

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Mechanistic insights into intramolecular ortho-amination/hydroxylation by nonheme Fe^IVNTs/Fe^IVO species: the σ vs. the π channels†

Bhawana Pandey,

^a Madhavan Jaccob

^ab and Gopalan Rajaraman

*^a

Author affiliations

* Corresponding authors

^a Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai, Maharashtra, India
E-mail: rajaraman@chem.iitb.ac.in
Tel: +91-22-2576-7187

^b Department of Chemistry, Loyola College, Chennai 600 034, Tamil Nadu, India

Abstract

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

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Article information

DOI: https://doi.org/10.1039/C6CC08761B
Article type: Communication
Submitted: 01 Nov 2016
Accepted: 11 Feb 2017
First published: 13 Feb 2017

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Chem. Commun., 2017,53, 3193-3196

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Mechanistic insights into intramolecular ortho-amination/hydroxylation by nonheme Fe^IVNTs/Fe^IVO 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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