We compute the vibronic spectrum of gas phase fullerene negative ions C60- and C602-. We treat accurately the linear dynamical Jahn-Teller of these ions in their ground state. In particular, coupling of the t 1u orbital to the eight H g vibrational modes is handled by exact diagonalizations including up to six vibrons. The resulting spectrum is characterized by large splittings, which should be readily observable spectroscopically. The lowest excitation symmetry is argued to be related to the Berry phase present in this problem.
Low lying excitations of the dynamical Jahn-Teller ions C60- and C602- / N. Manini, E. Tosatti - In: Recent advances in the chemistry and physics of fullerenes and related materials. Volume 2 / [a cura di] R. S. Ruoff, K. M. Kadish. - Pennington, NJ, USA : Electrochemical society, 1995. - ISBN 9781566771047. - pp. 1017-1028 (( Intervento presentato al 7. convegno Fullerenes : chemistry, physics and new directions tenutosi a Reno, NV, USA nel 1995.
Low lying excitations of the dynamical Jahn-Teller ions C60- and C602-
N. ManiniPrimo
;
1995
Abstract
We compute the vibronic spectrum of gas phase fullerene negative ions C60- and C602-. We treat accurately the linear dynamical Jahn-Teller of these ions in their ground state. In particular, coupling of the t 1u orbital to the eight H g vibrational modes is handled by exact diagonalizations including up to six vibrons. The resulting spectrum is characterized by large splittings, which should be readily observable spectroscopically. The lowest excitation symmetry is argued to be related to the Berry phase present in this problem.
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