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Pugliesi, Igor; Megerle, Uwe; Suraru, Sabin-Lucian; Würthner, Frank; Riedle, Eberhard ORCID logoORCID: https://orcid.org/0000-0002-2672-5718 und Lochbrunner, Stefan (Februar 2011): Influence of core-substitution on the ultrafast charge separation and recombination in arylamino core-substituted naphthalene diimides. In: Chemical Physics Letters, Bd. 504, Nr. 1-3: S. 24-28

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Abstract

We study the charge separation and recombination of two arylamino core-substituted naphthalene diimides by transient absorption. Both compounds show a 3 ps relaxation from the initially excited partial to the full charge transfer state. Quantum chemical calculations show that this process is associated with a twisting of the arylamino substituent. In the twisted conformation the energy gap between ground and excited state is 0.7 eV for two amino core-substituents and 0.5 eV for one amino and one chloro core-substituent. The larger energy gap leads to a six-fold increase in the lifetime of the fully charge separated state from 11 to 70 ps.

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