Vibrational probe of the origin of singlet exciton fission in TIPS-pentacene solutions
- Pennsylvania State Univ., University Park, PA (United States). Dept. of Chemistry
- Pennsylvania State Univ., University Park, PA (United States). Intercollege Materials Science and Engineering Program. Dept. of Materials Science and Engineering
- Pennsylvania State Univ., University Park, PA (United States). Dept. of Materials Science and Engineering
- Univ. of Kentucky, Lexington, KY (United States). Dept. of Chemistry
- Pennsylvania State Univ., University Park, PA (United States). Dept. of Chemistry. Intercollege Materials Science and Engineering Program
We use native vibrational modes of the model singlet fission chromophore 6,13- bis(triisopropylsilylethynyl)pentacene (TIPS-Pn) to examine the origins of singlet fission in solution between molecules that are not tethered by a covalent linkage. We use the C-H stretch modes of TIPS side groups of TIPS-Pn to demonstrate that singlet fission does not occur by diffusive encounter of independent molecules in solution. Instead, TIPS-Pn molecules aggregate in solution through their TIPS side groups. This aggregation breaks the symmetry of the TIPS-Pn molecules and enables the formation of triplets to be probed through the formally symmetry forbidden symmetric alkyne stretch mode of the TIPS side groups. The alkyne stretch modes of TIPS-Pn are sensitive to the electronic excited states present during the singlet fission reaction and provide unique signatures of the formation of triplets following the initial separation of triplet pair intermediates. These findings highlight the opportunity to leverage structural information from vibrational modes to better understand intermolecular interactions that lead to singlet fission.
- Research Organization:
- Pennsylvania State Univ., University Park, PA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Grant/Contract Number:
- SC0019349
- OSTI ID:
- 1803718
- Alternate ID(s):
- OSTI ID: 1570495; OSTI ID: 1839367
- Journal Information:
- Journal of Chemical Physics, Vol. 151, Issue 15; ISSN 0021-9606
- Publisher:
- American Institute of Physics (AIP)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
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