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arXiv · 1309.6432

Multiple Transition States and Roaming in Ion-Molecule Reactions: a Phase Space Perspective

Frederic A. L. Mauguiere·Peter Collins·Gregory S. Ezra·Stavros C. Farantos·Stephen Wiggins
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Abstract

We provide a dynamical interpretation of the recently identified `roaming' mechanism for molecular dissociation reactions in terms of geometrical structures in phase space. These are NHIMs (Normally Hyperbolic Invariant Manifolds) and their stable/unstable manifolds that define transition states for ion-molecule association or dissociation reactions. The associated dividing surfaces rigorously define a roaming region of phase space, in which both reactive and nonreactive trajectories can be trapped for arbitrarily long times.

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Frederic A. L. Mauguiere, Peter Collins, Gregory S. Ezra, Stavros C. Farantos, Stephen Wiggins. 2013-09-25. Multiple Transition States and Roaming in Ion-Molecule Reactions: a Phase Space Perspective. https://doi.org/10.1016/j.cplett.2013.12.051

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