Influence of core-substitution on the ultrafast charge separation and recombination in arylamino core-substituted naphthalene diimides

Chem. Phys. Lett., 2011, 504, 24-28 published on 28.02.2011
Chem. Phys. Lett.

We study the charge separation and recombination of two arylamino core-substituted naph-thalene 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 con-formation 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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