
We are investigating charge-transfer dynamics in a series of dipyrrolo-naphthyridinedione (DPND)-based donor-acceptor systems synthesized by the Gryko group in Warsaw. This study primarily aims at understanding how the position of the donor substituent(s) on the DPND core affects the charge transfer character of the excited state. According to our previous quantum-chemical calculations (Phys. Chem. Chem. Phys., 2026, 28, 8387-8395), A1 should exhibit a more polar S1 state compared to C1. The above figures depict time-resolved IR spectra in the −C≡C− stretching region after photoexcitation of the molecules. The much larger time-dependent shift of the vibrational band for A1 than C1 is fully consistent with a more polar excited state of A1. Similar measurements with A1C1 reveal that the exciton is initially delocalised on both branches but localises rapidly on one side of the molecule on the timescale of solvent relaxation.
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