Determination of collision mechanisms at low energies using four-vector correlations

Jambrina, P. G.; Croft, J. F. E.; Balakrishnan, N.; Guo, Hua; Aoiz, F. J.

Abstract

In molecular dynamics, a fundamental question is how the outcome of a collision depends on the relative orientation of the collision partners before their interaction begins (the stereodynamics of the process). The preference for a particular orientation of the reactant complex is intimately related to the idea of a collision mechanism and the possibility of control, as revealed in recent experiments. Indeed, this preference holds not only for chemical reactions involving complex polyatomic molecules, but also for the simplest inelastic atom–diatom collisions at cold collision energies. In this work, we report how the outcome of rotationally inelastic collisions between two D2 molecules can be controlled by changing the alignment of their internuclear axes under the same or different polarization vectors. Our results demonstrate that a higher degree of control can be achieved when two internuclear axes are aligned, especially when both molecules are relaxed in the collision. The possibility of control extends to very low energies, even to the ultracold regime, when no control could be achieved just by the alignment of the internuclear axis of one of the colliding partners.

Citation

Jambrina, P. G., Croft, J. F. E., Balakrishnan, N., Guo, H., & Aoiz, F. J. (2024). Determination of collision mechanisms at low energies using four-vector correlations. Faraday Discussions, 251, 104-124. https://doi.org/10.1039/d3fd00173c

• Journal Article Type: Article
• Acceptance Date: Feb 19, 2024
• Online Publication Date: Feb 20, 2024
• Publication Date: Feb 20, 2024
• Deposit Date: Jun 11, 2024
• Publicly Available Date: Jun 11, 2024
• Journal: Faraday Discussions
• Print ISSN: 1359-6640
• Electronic ISSN: 1364-5498
• Publisher: Royal Society of Chemistry
• Peer Reviewed: Peer Reviewed
• Volume: 251
• Pages: 104-124
• DOI: https://doi.org/10.1039/d3fd00173c
• Public URL: https://durham-repository.worktribe.com/output/2480362