Abstract
The resonance conditions for the facile coupling of vibrational degrees of freedom due to anharmonicities are examined for realistic molecular Hamiltonians. Below the dissociation limit it often requires three or more degrees of freedom for strong mixing. This can occur when two (or more) independent resonance planes intersect at a given energy. In general, modes of low frequency and high anharmonicity (i.e. floppy modes) would couple more efficiently. Explicit results are shown for HCN, SO2 and C2H2 in the energy region accessed by SEP experiments.
Original language | English |
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Pages (from-to) | 270-278 |
Number of pages | 9 |
Journal | Chemical Physics Letters |
Volume | 164 |
Issue number | 2-3 |
DOIs | |
State | Published - 8 Dec 1989 |