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
Chem. Commun., 2017, Advance Article
DOI: 10.1039/C6CC08761B
Received 01 Nov 2016, Accepted 11 Feb 2017
First published online 13 Feb 2017
Comparative oxidative abilities of nonheme FeIV![[double bond, length as m-dash]](https://lh3.googleusercontent.com/blogger_img_proxy/AEn0k_tK4qvc6gA2CqNRmYvnYCf-lk9pej8BExHfQGebpVZIc8PUqgma9ySUHdI2k46Nafidf3g3gHaaP61IMQv2oCl-D4P0U4T6qUAJ3qXu_ZUP88WP1w=s0-d)
NTs 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.
NTs 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](https://lh3.googleusercontent.com/blogger_img_proxy/AEn0k_uhDTLdt50K3TMCmgy0lyNANxMbA5h7fcTzes_AgNSzULZwzp0icDO49R8W7FXlLzxBiS4Hd-S3SyRwlSt9aElXxRXvXeooIdvPAdngW0sK8MBSo_0kD3NUtL3wAMrd-zZbg537KOaTKlTLftr5FKmzS1H7RysFhdcMyJA_bm9tQ7kJdj_YZQwqDazGb9Hmgdjs2iwhyInRa2yST_7_R1Ljnw=s0-d "Graphical abstract")
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