Nitrogen-doped molecular bowls as electron donors in photoinduced electron transfer reactions
In recent years, the chemistry of curved pi-conjugated molecules has experienced a sharp rise. The inclusion of a heteroatom in the carbon network significantly affects its semiconducting properties. In this work, we computationally study the photoinduced electron transfer in a series of C60 fullere...
| Autores: | , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2022 |
| País: | España |
| Institución: | Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya) |
| Repositorio: | Recercat. Dipósit de la Recerca de Catalunya |
| OAI Identifier: | oai:recercat.cat:10256/21115 |
| Acceso en línea: | http://hdl.handle.net/10256/21115 |
| Access Level: | acceso abierto |
| Palabra clave: | Transferència de càrrega Química supramolecular Charge transfer Supramolecular chemistry |
| Sumario: | In recent years, the chemistry of curved pi-conjugated molecules has experienced a sharp rise. The inclusion of a heteroatom in the carbon network significantly affects its semiconducting properties. In this work, we computationally study the photoinduced electron transfer in a series of C60 fullerene complexes with experimentally established nitrogen-doped molecular bowls. Our results demonstrate that introducing nitrogen into pentagonal rings of the bowl-shaped pi-conjugated molecules and extending the pi-conjugation can modulate their electron-transfer properties. Among the studied complexes, the hub-NCor⊃C60 complex exhibits the most desirable combination of ultrafast charge separation and slow charge recombination, suggesting its potential use in photovoltaics |
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