Statistical adiabatic channel model for termolecular reactions.

J Chem Phys

Department of Physics and Astronomy, Stony Brook University, Stony Brook, New York 11794, USA and Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany.

Published: October 2024

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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http://dx.doi.org/10.1063/5.0230336DOI Listing

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