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Communication: Substantial impact of the orientation of transition dipole moments on the dynamics of diatomics in laser fields.

Péter BadankóGábor J HalászLorenz S CederbaumÁgnes VibókAndrás Csehi
Published in: The Journal of chemical physics (2018)
The formation of light-induced conical intersections (LICIs) between electronic states of diatomic molecules has been thoroughly investigated over the past decade. In the case of running laser waves, the rotational, vibrational, and electronic motions couple via the LICI giving rise to strong nonadiabatic phenomena. In contrast to natural conical intersections (CIs) which are given by nature and hard to manipulate, the characteristics of LICIs are easily modified by the parameters of the laser field. The internuclear position of the created LICI is determined by the laser energy, while the angular position is given by the orientation of the transition dipole moment (TDM) with respect to the molecular axis. In the present communication, using MgH+ as a showcase example, we exploit the strong impact of the orientation of the TDMs exerted on the light-induced nonadiabatic dynamics. Comparing the photodissociations induced by parallel or perpendicular transitions, a clear signature of the created LICIs is revealed in the angular distribution of the photofragments.
Keyphrases
  • high speed
  • molecular dynamics
  • magnetic resonance
  • atomic force microscopy
  • single cell
  • computed tomography
  • density functional theory
  • molecular dynamics simulations
  • mass spectrometry
  • single molecule