Core photoionization satellites in fullerence and related model systems

Abstract

The so-called shake-up satellites accompanying C1s photoionization in C60 have been studied theoretically by means of INDO/CI. It is found that the lowest shake-up satellites in C60 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 acenaphtylene and, on the other hand, infinite systems such as graphite. (C) 1994 John Wiley & Sons, Inc.

Published in

International Journal of Quantum Chemistry
1994, volume: 52, number: 1, pages: 135-146
Publisher: JOHN WILEY & SONS INC

SLU Authors

• Enkvist, Christer

  • Uppsala University

UKÄ Subject classification

Algebra and Logic
Theoretical Chemistry
Mathematical Analysis

Publication identifier

• DOI: https://doi.org/10.1002/qua.560520114

Permanent link to this page (URI)

https://res.slu.se/id/publ/82966