Statistical adiabatic channel model for termolecular reactions
In this work, we present a statistical adiabatic channel model for termolecular reactions, A + B + C → Products. Our approach relies on hyperspherical coordinates, where the adiabatic channels are readily defined in the hyper-radius after averaging the hyperangular degrees of freedom. In this way, we find a general expression for termolecular rate constants. We focus on ion-neutral association reactions to test our approach's accuracy and predictive power, finding a good agreement between theory and experiment, especially in those reactions' temperature dependence.
Authors
- Jesús Pérez‐Ríos (ORCID: https://orcid.org/0000-0001-9491-9859)
Institutions
- Fritz Haber Institute of the Max Planck Society (DE)
- Stony Brook University (US)
Publication Details
- Journal
- The Journal of Chemical Physics
- Published
- 2024-10-08
- DOI
- https://doi.org/10.1063/5.0230336
- Citations
- 1
- Primary Topic
- Advanced Chemical Physics Studies
- Type
- article
- Field-Weighted Citation Impact
- 0.34
Funders
- Air Force Office of Scientific Research