| Abstract: | A new theoretical formulation is given for the reaction rate and path for the important reaction class of aromatic radical anion dissociation in solution Ar? X]?.→Ar.+X?, and is illustrated for the case of the cyanochlorobenzene radical anion CN? Φ? Cl]?. in dimethylformamide. Among the theory's novel features is the inclusion of the conical intersection aspect of this ground electronic state problem, which is key in allowing the reaction to occur and which has a significant impact on the reaction barrier height. Reasonable agreement with the experimental rate is found. |
