Physics – Chemical Physics
Scientific paper
2007-07-31
Physics
Chemical Physics
To appear in J. Chem. Phys. (August 28, 2007); 4 pages and 3 figures
Scientific paper
10.1063/1.2768528
We study the effect of an internal rotor on the classical and quantum intramolecular vibrational energy redistribution (IVR) dynamics of a model system with three degrees of freedom. The system is based on a Hamiltonian proposed by Martens and Reinhardt (J. Chem. Phys. {\bf 93}, 5621 (1990).) to study IVR in the excited electronic state of para-fluorotoluene. We explicitly construct the state space and show, confirming the mechanism proposed by Martens and Reinhardt, that an excited high frequency mode relaxes via diffusion along a thick layer of chaos created by the low frequency-rotor interactions. However, the corresponding quantum dynamics exhibits no appreciable relaxation of the high frequency mode. We attribute the quantum suppression of the classical thick-layer diffusion to the rotor selection rules and, possibly, dynamical localization effects.
Keshavamurthy Srihari
Manikandan Paranjothy
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