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Analysis of Reaction Channels for Alkane Hydroxylation by Nonheme Iron(IV)–Oxo Complexes
Author(s) -
Geng Caiyun,
Ye Shengfa,
Neese Frank
Publication year - 2010
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201001850
Subject(s) - alkane , hydroxylation , chemistry , reactivity (psychology) , activation energy , stereochemistry , medicinal chemistry , computational chemistry , organic chemistry , hydrocarbon , enzyme , alternative medicine , pathology , medicine
New high‐spin pathways : All four feasible reaction pathways for alkane hydroxylation by nonheme iron(IV)–oxo complexes have been investigated by computational methods. The triplet σ path is too high in energy to be involved in CH bond activation, but the reactivity of the quintet π channel competes with the triplet path and may thus offer a new approach for specific control of CH bond activation by iron(IV)–oxo species (see scheme).