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.

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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

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article

Statistical adiabatic channel model for termolecular reactions

Jesús Pérez‐Ríos
1 citations
The Journal of Chemical Physics
Advanced Chemical Physics Studies
0.34
article

Statistical adiabatic channel model for termolecular reactions

Jesús Pérez‐Ríos
article en
1 citations

Abstract

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.

The Journal of Chemical PhysicsVol. 161(14)
Fritz Haber Institute of the Max Planck Society (DE), Stony Brook University (US)
Air Force Office of Scientific Research
Peace, Justice and strong institutions
Openalex Percentile: Top 40%
Advanced Chemical Physics Studies
0.34
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Statistical adiabatic channel model for termolecular reactions — Jesús Pérez‐Ríos · The Journal of Chemical Physics (2024) | TGRS Research Map | TGRS