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...
| Authors: | , , , |
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| Format: | article |
| Status: | Versión aceptada para publicación |
| Publication Date: | 2019 |
| Country: | España |
| Institution: | Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya) |
| Repository: | Recercat. Dipósit de la Recerca de Catalunya |
| OAI Identifier: | oai:recercat.cat:10256/17133 |
| Online Access: | http://hdl.handle.net/10256/17133 |
| Access Level: | Open access |
| Keyword: | Transferència de càrrega Charge transfer Electrons |
| Summary: | 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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