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A DFT study on the C–H oxidation reactivity of Fe(iv)–oxo species with N4/N5 ligands derived from l-proline

The hydroxylation of hexane by two Fe(IV)O complexes bearing a pentadentate ligand (N5, Pro3Py) and a tetradentate ligand (N4, Pro2PyBn) derived from l-proline was studied by DFT calculations. Theoretical results predict that both Fe(IV)O complexes hold triplet ground states. The hydrogen atom abstr...

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Detalles Bibliográficos
Autores principales:	Lin, Jin, Sun, Qiangsheng, Sun, Wei
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2021
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8693871/ https://www.ncbi.nlm.nih.gov/pubmed/35424189 http://dx.doi.org/10.1039/d0ra08496d

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