Ab-initio study of a radiative association mechanism application to the CH3+ + H2 reaction Original Research Article

The CH3+ + H2 → CH5+ + hν radiative association process has been studied by means of a semi-classical formalism first developped for A + B → AB + hν reactions. The potential energy surfaces and dipole moments needed for such a treatment have been calculated using accurate ab-initio methods. Calculated rate constants compare positively with experimental measurements.