Multiple transition states and roaming in ion-molecule reactions: A phase space perspective
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 non reactive trajectories can be trapped for arbitrarily long times.
- Publication:
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Chemical Physics Letters
- Pub Date:
- January 2014
- DOI:
- 10.1016/j.cplett.2013.12.051
- arXiv:
- arXiv:1309.6432
- Bibcode:
- 2014CPL...592..282M
- Keywords:
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- Physics - Chemical Physics;
- Condensed Matter - Statistical Mechanics;
- Mathematics - Dynamical Systems;
- Nonlinear Sciences - Chaotic Dynamics
- E-Print:
- 20 pages, 6 figures