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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2021
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| Materias: | |
| 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 |