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arxiv: 1108.0503 · v1 · pith:RADN2VY6new · submitted 2011-08-02 · ⚛️ physics.chem-ph

On the nature of highly vibrationally excited states of Thiophosgene

classification ⚛️ physics.chem-ph
keywords excitedhighlystateseigenstatesnaturestrongthiophosgenevibrationally
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In this work an analysis of the highly vibrationally excited states of thiophosgene (SCCl$_{2}$) is made in order to gain insights into some of the experimental observations and spectral features. The states analyzed herein lie in a spectrally complex region where strong mode mixings are expected due to the overlap of several strong anharmonic Fermi resonances. Two recent techniques, a semiclassical angle space representation of the eigenstates and the parametric variation of the eigenvalues (level-velocities) are used to identify eigenstate sequences exhibiting common localization characteristics. Preliminary results on the influence of highly excited out-of-plane bending modes on the nature of the eigenstates suggest a possible bifurcation in the system.

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