Identifying (BN)2-pyrene as a new class of singlet fission chromophores: significance of azaborine substitution
| dc.contributor.author | Zeng, Tao | |
| dc.contributor.author | Mellerup, Soren | |
| dc.contributor.author | Yang, Dengtao | |
| dc.contributor.author | Wang, Xiang | |
| dc.contributor.author | Wang, Suning | |
| dc.contributor.author | Stamplecoskie, Kevin | |
| dc.date.accessioned | 2020-04-03T19:38:19Z | |
| dc.date.available | 2020-04-03T19:38:19Z | |
| dc.date.issued | 2018 | |
| dc.description.abstract | Singlet fission converts one photoexcited singlet state to two triplet excited states and raises photoelectric conversion efficiency in photovoltaic devices. However, only a handful of chromophores have been known to undergo this process, which greatly limits the application of singlet fission in photovoltaics. We hereby identify a recently synthesized diazadiborine-pyrene ((BN)2-pyrene) as a singlet fission chromophore. Theoretical calculations indicate that it satisfies the thermodynamics criteria for singlet fission. More importantly, the calculations provide a physical chemistry insight into how the BN substitution makes this happen. Both calculation and transient absorption spectroscopy experiment indicate that the chromophore has a better absorption than pentacene. The convenient synthesis pathway of the (BN)2-pyrene suggests an in situ chromophore generation in photovoltaic devices. Two more (BN)2-pyrene isomers are proposed as singlet fission chromophores. This study sets a step forward in the cross-link of singlet fission and azaborine chemistry. | en_US |
| dc.identifier.citation | T. Zeng, S. Mellerup, D.-T. Yang, X. Wang, S. Wang, K. Stamplecoskie. “Identifying (BN)2-pyrene as a new class of singlet fission chromophores: significance of azaborine substitution.” Journal of Physical Chemistry Letters 2018, 9, 2919-2927. | en_US |
| dc.identifier.uri | https://doi.org/10.1021/acs.jpclett.8b01226 | en_US |
| dc.identifier.uri | https://hdl.handle.net/10315/37170 | |
| dc.language.iso | en | en_US |
| dc.publisher | American Chemical Society | en_US |
| dc.rights.article | https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.8b01226 | en_US |
| dc.title | Identifying (BN)2-pyrene as a new class of singlet fission chromophores: significance of azaborine substitution | en_US |
| dc.type | Article | en_US |