The time evolution of the trajectories after the selectivity in a symmetric potential energy surface with a post-transition-state bifurcation

Abstract

Selectivity is an important phenomenon in chemical reaction dynamics. This can be quantified by the branching ratio of the trajectories that visit one or the other wells to the total number of trajectories in a system with a potential with two sequential index-1 saddles and two wells (top well and bottom well). In our case, the branching ratio is 1:1 because of the symmetry of our potential energy surface. The mechanisms of transport and the behavior of the trajectories in this kind of systems have been studied recently. In this paper we study the time evolution after the selectivity as energy varies using periodic orbit dividing surfaces. We investigate what happens after the first visit of a trajectory to the region of the top or the bottom well for different values of energy. We answer the natural question, what is the destiny of these trajectories?

References in corpus (4)

• Nonstatistical dynamics on potentials exhibiting reaction path bifurcations and valley-ridge inflection points
• Phase Space Analysis of the Dynamics on a Potential Energy Surface with an Entrance Channel and Two Potential Wells
• The Phase Space Mechanism for Selectivity in a Symmetric Potential Energy Surface with a Post-Transition-State Bifurcation
• Tuning the Branching Ratio in a Symmetric Potential Energy Surface with a Post-Transition State Bifurcation using External Time Dependence

Cited by in corpus (2)

• Bifurcation of Dividing Surfaces Constructed from Period-Doubling Bifurcations of Periodic Orbits in a Caldera Potential Energy Surface
• The Influence of a Parameter that Controls the Asymmetry of a Potential Energy Surface with an Entrance Channel and Two Potential Wells