Determining the inherent selectivity for carbon radical hydroxylation versus halogenation with high-spin oxoiron(iv )–halide complexes: a concerted rebound step
| Autor: | Yaping Tao, Zixian Li, Yiman Zhang, kexi Sun, Zhaojun Liu |
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| Rok vydání: | 2022 |
| Předmět: | |
| Zdroj: | RSC Advances. 12:9891-9897 |
| ISSN: | 2046-2069 |
| DOI: | 10.1039/d2ra01384c |
| Popis: | DFT calculation for the hydroxylation versus halogenation of propylene by [FeIV(O)(TQA)X]+ (X = F, Cl and Br) reveals that after hydrogen abstraction, halogen and oxygen rebound reactions are a synergistic process. |
| Databáze: | OpenAIRE |
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