Fullerene anions: Jahn-Teller or pseudo-Jahn-Teller effects?
Journal Article
·
· Journal of Physical Chemistry
- Institut de Recherches sur la Catalyse, Villeurbanne (France)
- Univ. of Sussex, Falmer (United Kingdom)
The vibronic problems appearing in manifolds of the electronic terms of C{sub 60} anions are studied. It is shown that the vibronic coupling of the t{sub 1u} molecular orbital with the h{sub g} vibrations induces pseudo-Jahn-Teller and Jahn-Teller coupling within the electronic terms. The resulting vibronic distortions are determined by the interplay of interelectronic and vibronic interactions. In certain cases the vibronic interaction of excited electronic terms can change the spin multiplicity of the ground state. 31 refs.
- OSTI ID:
- 263182
- Journal Information:
- Journal of Physical Chemistry, Journal Name: Journal of Physical Chemistry Journal Issue: 22 Vol. 100; ISSN JPCHAX; ISSN 0022-3654
- Country of Publication:
- United States
- Language:
- English
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