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Re-Thinking Dimer Design Principles with Indolonaphthyridine Intramolecular Singlet Fission
Michael Purdy1,2, Peter Budden3, Kealan Fallon1,2
1Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|June 28, 2023
Summary
Singlet fission in indolonaphthyridine thiophene (INDT) dimers is enhanced by para-phenyl linkers, boosting photovoltaic efficiency. Polarity influences singlet fission rates, revealing charge-transfer states
Area of Science:
- Materials Science
- Photovoltaics
- Physical Chemistry
Background:
- Singlet fission (SF) is a photophysical process with potential to enhance photovoltaic device efficiency.
- Indolonaphthyridine thiophene (INDT) is a photostable material exhibiting singlet fission properties.
- Investigating intramolecular singlet fission (i-SF) in INDT dimers is crucial for advancing solar energy technologies.
Purpose of the Study:
- To investigate the intramolecular singlet fission (i-SF) mechanism in INDT dimers.
- To explore the influence of different bridging groups (para-phenyl, meta-phenyl, fluorene) on i-SF rates.
- To elucidate the role of charge-transfer states and solvent polarity in mediating i-SF.
Main Methods:
- Ultra-fast spectroscopy was employed to measure singlet fission rates.
- Quantum chemical calculations were performed to analyze electronic coupling.
- Experiments were conducted in varying solvent polarities (toluene and o-dichlorobenzene).
Main Results:
- The para-phenyl linked INDT dimer exhibited the highest singlet fission rate.
- Quantum calculations revealed that the para-phenyl linker enhances monomer electronic coupling.
- Increased singlet fission rates were observed in o-dichlorobenzene compared to toluene, indicating charge-transfer state involvement.
Conclusions:
- The para-phenyl linker is optimal for maximizing singlet fission rates in INDT dimers.
- Charge-transfer states play a significant role in mediating singlet fission in polarizable materials like INDT.
- This study expands the mechanistic understanding of singlet fission beyond traditional models.
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