Coupling of the Rotational and Translational Degrees of Freedom in Molecular DIET: A Classical Trajectory Study

In: Chemical Physics Letters, Jg. 170 (1990) ; Nr. 4, pp. 329-334
ISSN: 0009-2614
Zeitschriftenaufsatz / Fach: Chemie
Classical trajectories were calcd. to address recent observations in laser-induced desorption of mols.(esp. that the mean translational energy increases with rotational energy of the desorbed mol.). A model is discussed which explains rotational excitation on the basis of an anisotropic repulsive interaction in the excited state. The obsd. correlation is a consequence of the lifetime spread in the excited state resulting in the fact that those mols. quenched later have more potential energy transferred into translational and rotational energy. Calcd. rotational state and velocity distributions are in semiquant. agreement with exptl. findings.