On the nature of highly vibrationally excited states of Thiophosgene

Details On the nature of highly vibrationally excited states of Thiophosgene On the nature of highly vibrationally excited states of Thiophosgene

2011-08-02

arxiv.org/abs/1108.0503v1

Physics

Chemical Physics

9 pages, 6 figures. Accepted in the Journal of Chemical Sciences (Indian Academy of Sciences) as a contribution to the N. Sath

Scientific paper

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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