Analyzing laser-induced alignment of weakly-bound molecular aggregates

Abstract

The rotational and torsional dynamics of the prototypical floppy $\text{indole}({\text{H}}_2\text{O})$ molecular cluster was theoretically and computationally analyzed. The time-dependent Schrödinger equation was solved for a reduced-dimensionality description of the cluster, taking into account overall rotations and the internal rotation of the water moiety. Based on our results, it became clear that coupling between the internal and the overall rotations are small, and that for typical field strengths in alignment and mixed-field orientation experiments the rigid rotor approximation can be employed to describe the investigated dynamics. Furthermore, the parameter space over which this is valid and its boundaries where the coupling of the internal and overall rotation can no longer be neglected were explored.

arXiv comment8 pages, 3 figures; ab initio results, analytical expressions, and symmetry properties as supplementary material

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Cited by in corpus (3)

• Spatial separation of pyrrole and pyrrole-water clusters
• Laser-induced dynamics of molecules with strong nuclear quadrupole coupling
• The effect of nuclear-quadrupole coupling in the laser induced alignment of molecules