2026-04-13T02:15:39Zhttps://recercat.cat/oai/request
oai:recercat.cat:10256/184282024-06-18T13:55:40Zcom_2072_452955com_2072_2054col_2072_453073
RECERCAT author Stasyuk, Anton J. author Stasyuk, Olga A. author Solà i Puig, Miquel author Voityuk, Alexander A. 2024-06-18T13:55:40Z 2024-06-18T13:55:40Z info:eu-repo/date/embargoEnd/2021-08-212020-08-21 http://hdl.handle.net/10256/18428 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 systemsWe 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.). Tots els drets reservats info:eu-repo/semantics/openAccess Química supramolecular Supramolecular chemistry Transferència de càrrega Charge transfer Ful·lerens Fullerenes Triquinoline‐ versus Fullerene‐Based Cycloparaphenylene Ionic Complexes: Comparison of Photoinduced Charge‐Shift Reactions info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion peer-reviewed