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Analysis of Reaction Channels for Alkane Hydroxylation by Nonheme Iron(IV)–Oxo Complexes
Abstract
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).
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Citations
Cited by
Usharani, D., Lacy, D. C., Borovik, A. S., & Shaik, S. (2013) · Journal of the American Chemical Society · doi:10.1021/ja408073m · Cited by 278
Nandy, A., Zhu, J., Janet, J. P., Duan, C., Getman, R. B., & Kulik, H. J. (2019) · ACS Catalysis · doi:10.1021/acscatal.9b02165 · Cited by 91
Metadata
- Authors
- Geng, C., Ye, S., & Neese, F.
- Venue
- Angewandte Chemie International Edition
- Publisher
- Wiley
- Published
- 2010-07-28
- Volume
- 49
- Issue
- 33
- Pages
- 5717-5720
- ISSN
- 1433-7851 (ISSN-L)
- 1521-3773
- OpenAlex
- W2002384424
- Cited by
- 230
- References
- 0
- FWCI
- 10.29
- Type
- journal article
- Language
- en
- Open access
- closed
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- Geng, C., Ye, S., & Neese, F. (2010). Analysis of Reaction Channels for Alkane Hydroxylation by Nonheme Iron(IV)–Oxo Complexes. Angewandte Chemie International Edition. https://doi.org/10.1002/anie.201001850
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
