Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 110, Issue 38, Pages 18859-18871Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp057357f
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Semiclassical techniques are used to analyze highly excited pure bending vibrational dynamics from spectra of C2H2. An analytic bifurcation approach is developed, based on critical points of a classical version of the quantum fitting Hamiltonian. At high energy four new types of anharmonic modes are born in bifurcations of the normal modes: local, orthogonal, precessional, and counter-rotator. Visual insight into their nature is obtained with the help of computer-generated three-dimensional animations. The connection between the local mode and the acetylene-vinylidene isomerization reaction mode is considered.
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