Vibrational dynamics angular frequencies

Figure 13 Comparison of the experimental and a quantum mechanically computed (by exact wave packet propagation using an ab initio computed potential energy) spectrum of a nonrotating Na, molecule pumped to its B electronic state. (Courtesy of Experiment by S. Rutz, E. Schreiber, and L. Woste Computations by B. Reischl, all of the Free University of Berlin) (a) The short time dynamics Shown is the population of the excited state vs. time as determined by a pump-probe experiment and by the computation (points connected by a straight-line segments). The periodicity (about 320 fs) is due to the symmetric stretch motion, (b) A frequency spectrum. The long time dynamics (as reflected in the well-resolved spectrum) show the contribution of a different set of vibrational modes. The dominant peaks can be identified as the radial pseudorotation motion of Na,(B) while the splittings are due to the angular pseudorotational motion. (Adapted from B. Reischl, Chem. Phys. Lett., 239 173 (1995) and V. Bonacic-Koutecky, J. Gaus, J. Manz, B. Reischl, and R. de Vivie-Riedle, to be published.)...

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