Abstract
The generation of electronic ring currents in ring-shaped molecules by photo-excitation with circularly polarized laser light is considered in the presence of vibronic coupling effects. $(E\times e)$ Jahn-Teller distortions, unavoidable by symmetry in the $(E)$ subset of electronic states supporting the ring current, mix the clockwise and anti-clockwise circulation directions of the electrons and can suppress the maximum achievable current by at least one order of magnitude, already for moderate vibronic coupling strengths, as compared to the Born-Oppenheimer limit of fixed atomic positions. The circulation direction of the electrons is found to depend on the spectral region of the $(E\times e)$ Hamiltonian. This fact results in the surprising effect that the same polarization direction of the laser pulse can trigger either clockwise or anti-clockwise electronic dynamics depending on the wavelength of the photons. These findings are illustrated in a model of the triazine molecule.
Highlights
There is a growing interest in inducing, probing, and controlling electronic ring currents in ring-shaped molecular systems due to their potential applications in the generation of optoelectronic devices [1,2,3,4,5,6,7,8,9,10]
The generation of electronic ring currents in ring-shaped molecules by photoexcitation with circularly polarized laser light is considered in the presence of vibronic coupling effects. (E × e) Jahn-Teller distortions, unavoidable by symmetry in the (E ) subset of electronic states supporting the ring current, mix the clockwise and anticlockwise circulation directions of the electrons and can suppress the maximum achievable current by at least one order of magnitude, already for moderate vibronic coupling strengths, as compared to the Born-Oppenheimer limit of fixed atomic positions
It is well understood that circularly polarized light can trigger ring currents by resonantly exciting the electrons to a manifold of doubly degenerate electronic states of (E ) symmetry related to a symmetry axis of the molecule [3,11,12,13,14,15]
Summary
There is a growing interest in inducing, probing, and controlling electronic ring currents in ring-shaped molecular systems due to their potential applications in the generation of optoelectronic devices [1,2,3,4,5,6,7,8,9,10]. The generation of electronic ring currents in ring-shaped molecules by photoexcitation with circularly polarized laser light is considered in the presence of vibronic coupling effects.
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