Mechanism of F <sub>430</sub> -Catalyzed Dehalogenations of Chloromethanes: A DFT Perspective
Cl KIEs) have been calculated. Two major conclusions come from these studies. First, there is a mechanistic switch with the increasing number of chlorine atoms. Second, for the studied reaction lambdas are not indicative of the mechanism.
Authors
- Piotr Paneth (ORCID: https://orcid.org/0000-0002-3091-8387)
- Mateusz Pokora (ORCID: https://orcid.org/0000-0001-8835-9664)
- Mateusz Nowicki
- Li Ji
- Ye Han
Institutions
- Lodz University of Technology (PL)
- China University of Mining and Technology (CN)
- Centrum Badań Molekularnych i Makromolekularnych Polskiej Akademii Nauk (PL)
- Polish Academy of Sciences (PL)
Publication Details
- Journal
- The Journal of Physical Chemistry B
- Published
- 2026-04-20
- DOI
- https://doi.org/10.1021/acs.jpcb.6c00679
- Primary Topic
- Environmental remediation with nanomaterials
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Narodowe Centrum Nauki