Journal article
The role of conformational heterogeneity in the excited state dynamics of linked diketopyrrolopyrrole dimers
SJ Bradley, M Chi, JM White, CR Hall, L Goerigk, TA Smith, KP Ghiggino
Physical Chemistry Chemical Physics | Published : 2021
DOI: 10.1039/d1cp00541c
Abstract
Diketopyrrolopyrrole (DPP) derivatives have been proposed for both singlet fission and energy upconversion as they meet the energetic requirements and exhibit superior photostability compared to many other chromophores. In this study, both time-resolved electronic and IR spectroscopy have been applied to investigate excited state relaxation processes competing with fission in dimers of DPP derivatives with varying linker structures. A charge-separated (CS) state is shown to be an important intermediate with dynamics that are both solvent and linker dependent. The CS state is found for a subset of the total population of excited molecules and it is proposed that CS state formation requires su..
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Funding Acknowledgements
The authors would like to thank Steve Meech, Greg Greetham, Ian Clark, James Iuliano and Jinnette Tolentino Collado for assistance with TIR measurements at the Rutherford Appleton Laboratory. L. G. acknowledges generous allocations of computational resources from the National Computational Infrastructure (NCI) Facility within the National Computational Merit Allocation Scheme (project fk5), and Research Platform Services (ResPlat) at The University of Melbourne (project punim0094). This work was supported by the Australian Research Council through the Centre of Excellence in Exciton Science (CE170100026) and grant LE200100051.