Reorganization Energy and ET

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Presentation transcript:

Reorganization Energy and ET Experiments show that FAAQ has a long lived ET excited state (>900 ms), but the corresponding state in FcFAAQ decays rapidly (20 ps)a Cyclic voltammetry measurements give DG(FAAQ)=2.24 eV and DG(FcFAAQ)=1.12 eV Using CDFT (B3LYP/6-31G*), one finds: In inverted region, larger gap for FAAQ means longer lifetime FAAQ FAAQ FcFAAQ DGsol= 2.36 eV 1.12 eV liCT= .34 eV .35 eV li0= .34 eV .35 eV FcFAAQ D+-A- D-A aOkamoto et al., J. Phys. Chem. 109, 4662 (2005).