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Regular and irregular vibrational states: Localized anharmonic modes and transition-state spectroscopy of Na₃

Wright, N.J.; Hutson, J.M.

Regular and irregular vibrational states: Localized anharmonic modes and transition-state spectroscopy of Na₃ Thumbnail


Authors

N.J. Wright



Abstract

We have calculated the lowest 900 vibrational energy levels and wave functions for the quartet (14A′2) state of Na3. The equilibrium geometry of the trimer is triangular, but the calculations include many states that lie above the barrier to linearity. Most of the high-lying states are irregular, but there are a few relatively localized states embedded in the irregular bath. The localized modes observed include a “horseshoe” mode and a symmetric stretch centered on the linear transition state. The density of states and couplings are such that in most cases the “horseshoe” character is spread over several bath states, while the symmetric stretch states exist in a purer form. The localized states could be observed in laser-induced fluorescence, stimulated-emission pumping or ion photodetachmentspectroscopy from a state with a linear equilibrium geometry.

Citation

Wright, N., & Hutson, J. (2000). Regular and irregular vibrational states: Localized anharmonic modes and transition-state spectroscopy of Na₃. The Journal of Chemical Physics, 112(7), 3214-3219. https://doi.org/10.1063/1.480905

Journal Article Type Article
Acceptance Date Nov 24, 1999
Publication Date Feb 15, 2000
Deposit Date Aug 19, 2015
Publicly Available Date Mar 28, 2024
Journal Journal of Chemical Physics
Print ISSN 0021-9606
Electronic ISSN 1089-7690
Publisher American Institute of Physics
Peer Reviewed Peer Reviewed
Volume 112
Issue 7
Pages 3214-3219
DOI https://doi.org/10.1063/1.480905

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Copyright Statement
© 2000 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in The Journal of Chemical Physics 112, 3214 (2000) and may be found at http://dx.doi.org/10.1063/1.480905




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