Statistical adiabatic channel model for termolecular reactions
1Department 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.
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.
Related Concept Videos
Reaction Mechanisms
For instance, the decomposition of ozone appears to follow a mechanism with two steps:
Thermal Sigmatropic Reactions: Overview
Sigmatropic shifts are classified based on an order term [i, j ], where i and j indicate the number of atoms across which each end of the σ bond migrates. Below are examples of a [3,3] sigmatropic shift in...
Pressure and Volume in an Adiabatic Process
Temperature Dependence on Reaction Rate
Atoms, molecules, or ions must collide before they can react with each other. Atoms must be close together to form chemical bonds. This premise is the basis for a theory that explains many observations regarding chemical kinetics, including factors affecting reaction rates.
The collision theory is based on the postulates that (i) the reaction rate is proportional to the rate of reactant collisions, (ii) the reacting species collide in an orientation allowing contact between...
Clausius-Clapeyron Equation
Adiabatic Processes for an Ideal Gas


