Stuttgart 2012 – wissenschaftliches Programm
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MO: Fachverband Molekülphysik
MO 16: Collisions and Spectroscopy in He-Droplets
MO 16.1: Vortrag
Donnerstag, 15. März 2012, 10:30–10:45, V38.02
Energy transfer in the gas phase collision reaction of Cl− + CH3I — •Markus Kowalewski and Regina de Vivie-Riedle — Department Chemie, Ludwigs-Maximilians Universität München
The bimolecular substitution reaction of chloride and methyl iodine belongs to a fundamental class of chemical reactions. We are motivated by the experimental results of Mikosch et al. [1], which has some open questions. The collision reaction is simulated by solving the time dependent Schrödinger equation on ab intio potential energy surfaces. With the chosen reactive coordinates it is possible to reproduce the basic features of the immediate collision reaction. The energy transfer in the system is investigated and compared to the experimental results. From the new insight into the process, an intuitive concept of a dynamical barrier can be derived. Moreover the role of the spectator mode can be clarified.
[1] J. Mikosch, S. Trippel, C. Eichhorn, R. Otto, U. Lourderaj, J. X. Zhang, W. L. Hase, M. Weidemüller, R. Wester, Science 319, 183 (2008).