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The conducting and optical properties of a series of indeno[1,2‐b]fluorene‐6,12‐dione (IFD)‐based molecules have been systematically studied and the influences of butyl, butylthio and dibutylamino substituents on the reorganization energies, intermolecular electronic couplings and charge‐injection barriers of IFD have been discussed. The quantum‐chemical calculations combined with electron‐transfer...
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