On the borate-catalyzed electrochemical reduction of phosphine oxide
- Recently, Nocera and co-workers (J. Am. Chem. Soc. 2018, 140, 13711) demonstrated that triaryl borate Lewis acids facilitate the direct electrochemical reduction of triphenylphosphine oxide (TPPO) to triphenylphosphine (TPP). In the present contribution, we report a quantum chemical study unravelling details of the reaction, which also supports the proposed ECrECi mechanism. Alternative electrochemical routes to TPPO reduction facilitated by other Lewis acids (CH3+), or by photocatalysis at semiconductor surfaces, are also briefly discussed.
| Author details: | Robert Edler von Zander, Peter SaalfrankORCiDGND |
|---|---|
| DOI: | https://doi.org/10.1021/acs.jpca.0c07805 |
| ISSN: | 1089-5639 |
| ISSN: | 1520-5215 |
| Pubmed ID: | https://pubmed.ncbi.nlm.nih.gov/33258602 |
| Title of parent work (English): | The journal of physical chemistry : A, Molecules, spectroscopy, kinetics, environment & general theory |
| Subtitle (German): | a computational study |
| Publisher: | American Chemical Society |
| Place of publishing: | Washington |
| Publication type: | Article |
| Language: | English |
| Date of first publication: | 2020/12/01 |
| Publication year: | 2020 |
| Release date: | 2022/10/06 |
| Volume: | 124 |
| Issue: | 49 |
| Number of pages: | 7 |
| First page: | 10239 |
| Last Page: | 10245 |
| Funding institution: | Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under; Germany's Excellence StrategyGerman Research Foundation (DFG) [EXC; 2008/1-390540038] |
| Organizational units: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie |
| DDC classification: | 5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik |
| Peer review: | Referiert |
