Control of oxidation and spin state in a single-molecule junction
- The oxidation and spin state of a metal-organic molecule determine its chemical reactivity and magnetic properties. Here, we demonstrate the reversible control of the oxidation and spin state in a single Fe porphyrin molecule in the force field of the tip of a scanning electron tunneling microscope. Within the regimes of half-integer and integer spin state, we can further track the evolution of the magnetocrystalline anisotropy. Our experimental results are corroborated by density functional theory and wave function theory. This combined analysis allows us to draw a complete picture of the molecular states over a large range of intramolecular deformations.
| Author details: | Benjamin W. Heinrich, Christopher EhlertORCiDGND, Nino Hatter, Lukas Braun, Christian LotzeORCiD, Peter SaalfrankORCiDGND, Katharina J. FrankeORCiD |
|---|---|
| DOI: | https://doi.org/10.1021/acsnano.8b00312 |
| ISSN: | 1936-0851 |
| ISSN: | 1936-086X |
| Pubmed ID: | https://pubmed.ncbi.nlm.nih.gov/29489330 |
| Title of parent work (English): | ACS nano |
| Publisher: | American Chemical Society |
| Place of publishing: | Washington |
| Publication type: | Article |
| Language: | English |
| Date of first publication: | 2018/04/24 |
| Publication year: | 2018 |
| Release date: | 2021/12/13 |
| Tag: | density functional theory; oxidation state; porphyrin; scanning tunneling microscopy; scanning tunneling spectroscopy; spin state |
| Volume: | 12 |
| Issue: | 4 |
| Number of pages: | 6 |
| First page: | 3172 |
| Last Page: | 3177 |
| Funding institution: | Deutsche ForschungsgemeinschaftGerman Research Foundation (DFG) [Sfb 658, HE7368/2]; European Research Council through the consolidator grant "NanoSpin"; SOSCIP Consortium (TalentEdge program) |
| Organizational units: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Physik und Astronomie |
| DDC classification: | 5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik |
| Peer review: | Referiert |
| Publishing method: | Open Access / Green Open-Access |
