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  High‐Valent Iron‐Oxo and ‐Nitrido Complexes: Bonding and Reactivity

Mondal, B., Roy, L., Neese, F., & Ye, S. (2016). High‐Valent Iron‐Oxo and ‐Nitrido Complexes: Bonding and Reactivity. Israel Journal of Chemistry, 56(9-10), 763-77. doi:10.1002/ijch.201600028.

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Genre: Journal Article

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 Creators:
Mondal, Bhaskar1, Author              
Roy, Lisa1, Author              
Neese, Frank1, Author              
Ye, Shengfa1, Author              
Affiliations:
1Research Department Neese, Max Planck Institute for Chemical Energy Conversion, Max Planck Society, ou_3023886              

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Free keywords: bioinorganic chemistry; C-H activation; electronic structure; hydrogen transfer; iron
 Abstract: Multiple‐bonded iron‐oxo and ‐nitrido species have been identified or proposed as key intermediates in a range of important chemical transformations. The reported model complexes feature various coordination geometries and distinct electronic structures, and therefore exhibit diverse reactivity. The present contribution highlights the synergy from both experimental and theoretical standpoints to elucidate their different bonding situations and delineate their common mechanistic features in hydrogen‐atom abstraction processes. Our analysis reveals that a radical centered on the abstracting atom E (E=O, N), which is generated via homolysis of covalent Fe−E bonds upon approaching the transition state, is an intrinsic C−H cleaving agent. The iron‐oxo species is predicted to be more reactive than its nitride congener, in general, because the O−H bond formed in the H‐atom transfer process is often stronger than the corresponding N−H bond.

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Language(s): eng - English
 Dates: 2016-07-192016-10-01
 Publication Status: Published in print
 Pages: 10
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1002/ijch.201600028
 Degree: -

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Title: Israel Journal of Chemistry
  Abbreviation : Isr. J. Chem.
Source Genre: Journal
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Publ. Info: Weinheim : Wiley-VCH Verlag GmbH & Co. KGaA
Pages: - Volume / Issue: 56 (9-10) Sequence Number: - Start / End Page: 763 - 77 Identifier: ISSN: 0021-2148
CoNE: https://pure.mpg.de/cone/journals/resource/954925408770