AB-INITIO STUDY OF A RADIATIVE ASSOCIATION MECHANISM APPLICATION TO THE CH3-2 REACTION(+H)

The CH3+ + H-2 --> CH5+ + hv radiative association process has been st udied by means of a semi-classical formalism first developped for A B --> AB + hv reactions. The potential energy surfaces and dipole mome nts needed for such a treatment have been calculated using accurate ab -initio methods. Calculated rate constants compare positively with exp erimental measurements. (C) 1998 Elsevier Science B.V. All rights rese rved.