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Tuning the Formation of J and H Aggregates in Diketopyrrolopyrrole Materials
preprintsubmitted on 24.09.2020, 09:27 and posted on 24.09.2020, 10:24 by Aritrajit Gupta, Ashish Sarkalya, Ramesh Ganduri, Jayashree Nagesh, Satish Patil
The aggregation of molecules in devices plays a central role in determining their functional
properties. In the aggregated state, pi conjugated chromophores can exhibit enhanced emission
in comparison to their dilute solution. Here we synthesize and characterize a diketopyrrolopyrrole
(DPP) based donor-acceptor molecule in terms of its optical properties in
solution and thin film. Temperature and concentration dependent photoluminescence studies
reveal the presence of both H and J aggregates in thin film, which is corroborated by
computational investigations of the coulombic coupling in the crystal structure of the DPP
derivative. We find that the type of aggregate formed is extremely sensitive to the variation
in the shearing angle between the monomers in the crystal structure geometry.