Collisional dissipation of the laser-induced alignment of ethane gas: A requantized classical model

International audienceWe present the first theoretical study of collisional dissipation of the alignment of a symmetric-top molecule (ethane gas) impulsively induced by a linearly polarized non-resonant laser field. For this, Classical Molecular Dynamics Simulations (CMDSs) are carried out for an ensemble of C2H6 molecules based on knowledge of the laser-pulse characteristics and on an input intermolecular potential. These provide, for a given gas pressure and initial temperature, the orientations of all molecules at all times from which the alignment factor is directly obtained. Comparisons with measurements show that these CMDSs well predict the permanent alignment induced by the laser pulse and its decay with time but, as expected, fail in generating alignment revivals. However, it is shown that introducing a simple requantization procedure in the CMDS “creates” these revivals and that their predicted dissipation decay agrees very well with measured values. The calculations also confirm that, as for linear molecules, the permanent alignment of ethane decays more slowly than the transient revivals. The influence of the intermolecular potential is studied as well as that of the degree of freedom associated with the molecular rotation around the symmetry axis. This reveals that ethane practically behaves as a linear molecule because the intermolecular potential is only weakly sensitive to rotation around the C–C axis