ArticleCommunications chemistry2020
Stable chaos and delayed onset of statisticality in unimolecular dissociation reactions.
Article in Communications chemistry, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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Who cites it
3 citing papers in PubMed.
- Dynamical Tunneling in More than Two Degrees of Freedom.Entropy (Basel, Switzerland) · 2024Review
- Quantum Chaos in the Dynamics of Molecules.Entropy (Basel, Switzerland) · 2022Review
- Cavity-Modified Unimolecular Dissociation Reactions via Intramolecular Vibrational Energy Redistribution.The journal of physical chemistry letters · 2022Article
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Authors and funding
3 authors.
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Abstract
Statistical models provide a powerful and useful class of approximations for calculating reaction rates by bypassing the need for detailed, and often difficult, dynamical considerations. Such approaches invariably invoke specific assumptions about the extent of intramolecular vibrational energy flow in the system. However, the nature of the transition to the statistical regime as a function of the molecular parameters is far from being completely understood. Here, we use tools from nonlinear dynamics to study the transition to statisticality in a model unimolecular reaction by explicitly visualizing the high dimensional classical phase space. We identify generic features in the phase space involving the intersection of two or more independent anharmonic resonances and show that the presence of correlated, but chaotic, intramolecular dynamics near such junctions leads to nonstatisticality. Interestingly, akin to the stability of asteroids in the Solar System, molecules can stay protected from dissociation at the junctions for several picoseconds due to the phenomenon of stable chaos.
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