Symmetry control of ET

Fortunately, this last point could be confirmed experimentally because CR for both +DMN[8]MN- and +DMN[8]DCV- is accompanied by CT fluorescence. 

These CT fluorescence data enabled the unambiguous determination of the electronic coupling, Vcr, for CR to be made for each dyad. It was found that Va for CR in +DMN[8]MN- and +DMN[8]DCV are 137 and 35 cm respectively.224 These data show that VCI for the symmetry-allowed CR process is about four times stronger than that for the symmetry-forbidden CR process. Hence, orbital symmetry does have a small, but noticeable, effect on the magnitude of the electronic coupling for CR. 

Recently, Garth Jones (UNSW) and his co-workers have described a semi-classical molecular dynamics (MD) model, which incorporates the trajectory surface hopping (TSH) method, that shows promise in investigating a number of important problems concerning the effects of molecular vibrations on the dynamics of ET reactions, including formally symmetry-forbidden ones. Essentially, 

molecular vibrations play a crucial role in ET processes, and MD calculations involving quantum transitions, such as our MD-TSH method, offer considerable promise as a powerful tool for investigating their role in ET reactions. 

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