The permutational symmetry of the icosahedral orbital quintuplet and its implication for vibronic interactionsE. Lijnen and A. Ceulemans
Department of Chemistry and INPAC Institute for Nanoscale Physics and Chemistry, Katholieke Universiteit Leuven Celestijnenlaan 200F, B-3001 Leuven, Belgium
received 18 September 2007; accepted in final form 17 October 2007; published December 2007
published online 8 November 2007
The vibronic coupling between the fivefold degenerate orbital representation of the icosahedral point group and vibrational modes which are also fivefold degenerate is characterised by the existence of two equisymmetric but independent channels. It is shown that this coupling multiplicity of the quintuplet Jahn-Teller Hamiltonian can be resolved using the symmetric group of permutations of six elements, S6, of which the group of rotations of an icosahedron is a subgroup. After the application of this symmetry in atomic physics by Judd and Lo (Phys. Rev. Lett., 82 (1999) 3224), this report forms the first molecular application of this extension of the icosahedral symmetry group.
71.70.Ej - Spin-orbit coupling, Zeeman and Stark splitting, Jahn-Teller effect.
02.20.Rt - Discrete subgroups of Lie groups.
61.48.+c - Fullerenes and fullerene-related materials.
© EPLA 2007