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*

*Corresponding author for this work

Research output: Contribution to journalArticle (Academic Journal)peer-review

36 Citations (Scopus)

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. (C) 2013 The Authors. Published by Elsevier B.V. All rights reserved.

Original languageEnglish
Pages (from-to)282-287
Number of pages6
JournalChemical Physics Letters
Volume592
DOIs
Publication statusPublished - 30 Jan 2014

Bibliographical note

20 pages, 6 figures

Keywords

  • physics.chem-ph
  • cond-mat.stat-mech
  • math.DS
  • nlin.CD

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