English

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

Chemical Physics 2015-06-17 v1 Statistical Mechanics Dynamical Systems Chaotic Dynamics

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.

Keywords

Cite

@article{arxiv.1309.6432,
  title  = {Multiple Transition States and Roaming in Ion-Molecule Reactions: a Phase Space Perspective},
  author = {Frederic A. L. Mauguiere and Peter Collins and Gregory S. Ezra and Stavros C. Farantos and Stephen Wiggins},
  journal= {arXiv preprint arXiv:1309.6432},
  year   = {2015}
}

Comments

20 pages, 6 figures