Van Der Waals Coupling Between Internal Rotation and Molecular Vibrations. The Methyl Rotor Effect on IVR
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New intramolecular vibrational redistribution (IVR) lifetimes for S1, p-fluorotoluene (pFT) confirm the accelerating effect of the methyl rotor on IVR. A theory is outlined, based on van der Waals collisional interactions between the methyl hydrogens (internal rotation) and ring atoms. These interactions are modulated by ring vibrations leading to internal rotation-vibration coupling. The calculated coupling matrix elements and selection rules are sufficient to account for the special state mixing that is a prerequisite to the accelerated IVR dynamics.
KeywordsInternal Rotation Vibrational Level Rotor Energy Molecular Vibration Ring Vibration
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