The Role of Super-Atom Molecular Orbitals in Doped Fullerenes in a Femtosecond Intense Laser Field
- The interaction of gas phase endohedral fullerene Ho3N@C-80 with intense (0.1-5 x 10(14) W/cm(2)), short (30 fs), 800 nm laser pulses was investigated. The power law dependence of Ho3N@C-80(q+), q = 1-2, was found to be different from that of C-60. Time-dependent density functional theory computations revealed different light-induced ionization mechanisms. Unlike in C-60, in doped fullerenes, the breaking of the cage spherical symmetry makes super atomic molecular orbital (SAMO) states optically active. Theoretical calculations suggest that the fast ionization of the SAMO states in Ho3N@C-80 is responsible for the n = 3 power law for singly charged parent molecules at intensities lower than 1.2 x 10(14) W/cm(2).
| Author details: | Hui Xiong, Benoit MignoletORCiD, Li Fang, Timur Osipov, Thomas J. A. WolfORCiD, Emily Sistrunk, Markus GührORCiDGND, Francoise Remacle, Nora Berrah |
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| DOI: | https://doi.org/10.1038/s41598-017-00124-9 |
| ISSN: | 2045-2322 |
| Pubmed ID: | https://pubmed.ncbi.nlm.nih.gov/28273922 |
| Title of parent work (English): | Scientific reports |
| Publisher: | Nature Publ. Group |
| Place of publishing: | London |
| Publication type: | Article |
| Language: | English |
| Date of first publication: | 2017/03/09 |
| Publication year: | 2017 |
| Release date: | 2022/06/16 |
| Volume: | 7 |
| Number of pages: | 8 |
| Funding institution: | "Fonds der Chemischen Industrie |
| Organizational units: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Physik und Astronomie |
| DDC classification: | 5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik |
| Peer review: | Referiert |
| License (German): |  CC-BY - Namensnennung 4.0 International |
