Core photoionization satellites in fullerene and related model systems
Journal Article
·
· International Journal of Quantum Chemistry
- Uppsala Univ. (Sweden); and others
The so-called shake-up satellites accompanying C{sub 1s} photoionization in C{sub 60} have been studied theoretically by means of INDO/CI. It is found that the lowest shake-up satellites in C{sub 60} correspond to global charge-transfer excitations that move charge from the opposite side of the fullerene cage to the core-hole region, whereas higher-energy satellites tend to move charge from regions nearer to the core hole. Analogies are drawn, with, on the one hand, smaller model molecules such as napthalene and acenaphytylene and, on the other hand, infinite systems such as graphite. 45 refs., 8 figs., 2 tabs.
- Sponsoring Organization:
- USDOE
- OSTI ID:
- 486264
- Journal Information:
- International Journal of Quantum Chemistry, Journal Name: International Journal of Quantum Chemistry Journal Issue: 1 Vol. 52; ISSN IJQCB2; ISSN 0020-7608
- Country of Publication:
- United States
- Language:
- English
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