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MO: Fachverband Molekülphysik
MO 2: Biology Related Molecules
MO 2.6: Vortrag
Montag, 5. März 2018, 11:45–12:00, PA 1.150
Rotational dynamics of indole(H2O) dimer clusters — •Linda V. Thesing1, Andrey Yachmenev1,2, Rosario González-Férez3, and Jochen Küpper1,2,4 — 1Center for Free-Electron Laser Science, DESY, Hamburg, Germany — 2Center for Ultrafast Imaging, Universität Hamburg, Germany — 3Instituto Carlos I, Universidad de Granada, Spain — 4Department of Physics, Universität Hamburg, Germany
We present a time-dependent study of the rotational dynamics of a non-rigid molecule in combined ac and dc fields. We compute the alignment and orientation dynamics of the prototypical indole(H2O) dimer, including the coupling of the overall rotation to the internal rotation of the water moiety and compare our results to calculations treating the indole(H2O) clusters as rigid molecules. We show that due to the small coupling between the rotational and torsional motions, the rigid rotor approximation can be employed for typical field strengths in alignment and orientation experiments. Furthermore, by varying the dependence of the polarizability and electric dipole moment on the torsional angle as well as increasing the external field strengths, we explore regimes where the internal rotation of the water molecule affects the rotational dynamics of the full indole(H2O) cluster. We estimate that for laser intensities larger than 1013 W/cm2 the influence of the internal rotation of the water molecule can no longer be neglected.