Dissemin is shutting down on January 1st, 2025

Published in

American Institute of Physics, The Journal of Chemical Physics, 12(149), p. 124301

DOI: 10.1063/1.5048338

Links

Tools

Export citation

Search in Google Scholar

Impulsive alignment of 4He–CH3I: A theoretical study

This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

Full text: Unavailable

Green circle
Preprint: archiving allowed
Green circle
Postprint: archiving allowed
Orange circle
Published version: archiving restricted
Data provided by SHERPA/RoMEO

Abstract

We simulate the non-adiabatic laser alignment of the weakly bound 4He–CH3I complex based on a quantum mechanical wave packet calculation for a model He–CH3I interaction potential. Two different regimes are found depending on the laser intensity. At intensities typical of non-adiabatic alignment experiments, the rotational dynamics resembles that of the isolated molecule. This is attributed to the fact that after the initial prompt alignment peak the complex rapidly dissociates. The subsequent revival pattern is due to the free rotation of the molecule detached from the helium atom. It is superimposed to a flat background corresponding to ∼20% of the wave packet which remains bound, containing lower rotational excitation. At lower intensities, dissociation is avoided but the rotational excitation is not high enough to provide an efficient alignment and a broad non-regular structure is observed. Besides, the interaction of the He atom with the molecule quenches any possible alignment. These interpretations are based on the calculation of different observables related to the rotational motion. We compare our findings with recent experimental and theoretical results of non-adiabatic alignment of linear molecules solvated in helium nanodroplets or weakly interacting with one helium atom.