2026-04-17T04:32:21Zhttps://recercat.cat/oai/requestoai:recercat.cat:10256/184282024-06-18T13:55:40Zcom_2072_452955com_2072_2054col_2072_453073
Triquinoline‐ versus Fullerene‐Based Cycloparaphenylene Ionic Complexes: Comparison of Photoinduced Charge‐Shift Reactions
Stasyuk, Anton J.
Stasyuk, Olga A.
Solà i Puig, Miquel
Voityuk, Alexander A.
Química supramolecular
Supramolecular chemistry
Transferència de càrrega
Charge transfer
Ful·lerens
Fullerenes
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
We are grateful for financial support from the Spanish MINECO (Network RED2018-102815-T, project CTQ2017‐85341‐P, and Juan de la Cierva formación contracts FJCI‐2016‐29448 to A.J.S. and FJCI‐2017‐32757 to O.A.S.), and the Catalan DIUE (2017SGR39, XRQTC, and ICREA Academia 2014 Award to M.S.).
2024-06-18T13:55:40Z
2024-06-18T13:55:40Z
2024-06-18T13:55:40Z
info:eu-repo/date/embargoEnd/2021-08-21
2020-08-21
info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
peer-reviewed
http://hdl.handle.net/10256/18428
info:eu-repo/semantics/altIdentifier/doi/10.1002/chem.202002179
info:eu-repo/semantics/altIdentifier/issn/0947-6539
info:eu-repo/semantics/altIdentifier/eissn/1521-3765
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2017-85341-P/ES/AVANCES EN LA REACTIVIDAD DE FULLERENOS Y NANOTUBOS: ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION/
Tots els drets reservats
info:eu-repo/semantics/openAccess
Wiley
© Chemistry: A European Journal, 2020, vol. 26, núm. 47, p.10896-10902
Articles publicats (D-Q)