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Reorganization Energy and ET

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Cyclic voltammetry measurements give DG(FAAQ)=2.24 eV and DG(FcFAAQ) ... 31G*), one finds: In inverted region, larger gap for FAAQ means longer lifetime. FAAQ ... – PowerPoint PPT presentation

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Title: Reorganization Energy and ET


1
Reorganization Energy and ET
  • Experiments show that FAAQ has a long lived ET
    excited state (gt900 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).
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