Dynamics on the Double Morse Potential: A Paradigm for Roaming Reactions with no Saddle Points |
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| Authors: | Barry K. Carpenter Gregory S. Ezra Stavros C. Farantos Zeb C. Kramer Stephen Wiggins |
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| Affiliation: | 1.School of Chemistry,Cardiff University,Cardiff,UK;2.Department of Chemistry and Chemical Biology,Cornell University,Ithaca,USA;3.Institute of Electronic Structure and Laser, Foundation for Research and Technology–Hellas, and Department of Chemistry,University of Crete,Iraklion,Greece;4.Department of Chemistry and Biochemistry,La Salle University,Philadelphia,USA;5.School of Mathematics,University of Bristol,Bristol,UK |
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| Abstract: | In this paper we analyze a two-degree-of-freedom Hamiltonian system constructed from two planar Morse potentials. The resulting potential energy surface has two potential wells surrounded by an unbounded flat region containing no critical points. In addition, the model has an index one saddle between the potential wells. We study the dynamical mechanisms underlying transport between the two potential wells, with emphasis on the role of the flat region surrounding the wells. The model allows us to probe many of the features of the “roaming mechanism” whose reaction dynamics are of current interest in the chemistry community. |
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