Hypsochromic solvent shift of the charge separation band in ionic donor–acceptor Li+@C60⊂[10]CPP
In this work, we study computationally, using the DFT/TDDFT approach, the photoinduced electron transfer (PET) in CPP-based donor-acceptor supramolecules C60⊂[10]CPP and Li+@C60⊂[10]CPP. Based on the analysis of the excited states we find a system, Li+@C60⊂[10]CPP, which shows anomalous solvent effe...
| Autores: | , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión aceptada para publicación |
| Fecha de publicación: | 2019 |
| 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:10256/17133 |
| Acceso en línea: | http://hdl.handle.net/10256/17133 |
| Access Level: | acceso abierto |
| Palabra clave: | Transferència de càrrega Charge transfer Electrons |
| Sumario: | In this work, we study computationally, using the DFT/TDDFT approach, the photoinduced electron transfer (PET) in CPP-based donor-acceptor supramolecules C60⊂[10]CPP and Li+@C60⊂[10]CPP. Based on the analysis of the excited states we find a system, Li+@C60⊂[10]CPP, which shows anomalous solvent effects, i.e., destabilization of charge separated states by polar medium |
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