Vibration-vibration resonance conditions in intramolecular classical dynamics of triatomic and larger molecules

Y. M. Engel*, R. D. Levine

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

22 Scopus citations

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 languageEnglish
Pages (from-to)270-278
Number of pages9
JournalChemical Physics Letters
Volume164
Issue number2-3
DOIs
StatePublished - 8 Dec 1989

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