Work

Statistical adiabatic channel model for termolecular reactions

Year: 2024

Type: article

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.

Source: The Journal of Chemical Physics

DOI: 10.1063/5.0230336

Author: J. Pérez-Ríos

Institutions: Fritz Haber Institute of the Max Planck Society, Stony Brook University

Language: English

Topic: Advanced Physical and Chemical Molecular Interactions

Subfield: Physical and Theoretical Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $3,500

Funder: Air Force Office of Scientific Research