Triquinoline‐ versus Fullerene‐Based Cycloparaphenylene Ionic Complexes: Comparison of Photoinduced Charge‐Shift Reactions
A triquinoline cationic moiety (TQ⋅H+) has recently been designed as a novel molecular unit for supramolecular chemistry. In addition to some useful features, TQ⋅H+ has strong electron‐acceptor properties, which renders the molecular cation a unique element in nanochemistry. TQ⋅H+ is found to form c...
| Autores: | , , , |
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| Tipo de documento: | artigo |
| Estado: | Versión aceptada para publicación |
| Data de publicação: | 2020 |
| País: | España |
| Recursos: | Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya) |
| Repositório: | Recercat. Dipósit de la Recerca de Catalunya |
| OAI Identifier: | oai:recercat.cat:10256/18428 |
| Acesso em linha: | http://hdl.handle.net/10256/18428 |
| Access Level: | Acceso aberto |
| Palavra-chave: | Química supramolecular Supramolecular chemistry Transferència de càrrega Charge transfer Ful·lerens Fullerenes |
| Resumo: | A triquinoline cationic moiety (TQ⋅H+) has recently been designed as a novel molecular unit for supramolecular chemistry. In addition to some useful features, TQ⋅H+ has strong electron‐acceptor properties, which renders the molecular cation a unique element in nanochemistry. TQ⋅H+ is found to form complexes with coronene (COR) and cycloparaphenylene (CPP). In this work, we report a computational study of photoinduced electron transfer in supramolecular complexes TQ⋅H+‐COR, TQ⋅H+⊂[12]CPP and (TQ⋅H+‐COR)⊂[12]CPP. The electron‐transfer rates are estimated by using the semi‐classical approach. The results are compared with the data previously obtained for a structurally similar inclusion complex Li+@C60⊂[10]CPP. In particular, we found a red solvatochromic shift for charge‐shift bands in the TQ⋅H+‐complexes unlike a blueshift showed by Li+@C60⊂[10]CPP. This distinction is explored in terms of electronic and structural features of the systems |
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