Triquinoline‐ versus Fullerene‐Based Cycloparaphenylene Ionic Complexes: Comparison of Photoinduced Charge‐Shift Reactions
dc.contributor.author
dc.date.accessioned
2020-09-07T09:59:01Z
dc.date.available
2020-09-07T09:59:01Z
dc.date.issued
2020-08-21
dc.identifier.issn
0947-6539
dc.identifier.uri
dc.description.abstract
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
dc.description.sponsorship
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.).
dc.format.mimetype
application/pdf
dc.language.iso
eng
dc.publisher
Wiley
dc.relation
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/
dc.relation.isformatof
Versió postprint del document publicat a: https://doi.org/10.1002/chem.202002179
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© Chemistry: A European Journal, 2020, vol. 26, núm. 47, p.10896-10902
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Articles publicats (D-Q)
dc.rights
Tots els drets reservats
dc.subject
dc.title
Triquinoline‐ versus Fullerene‐Based Cycloparaphenylene Ionic Complexes: Comparison of Photoinduced Charge‐Shift Reactions
dc.type
info:eu-repo/semantics/article
dc.rights.accessRights
info:eu-repo/semantics/openAccess
dc.date.embargoEndDate
info:eu-repo/date/embargoEnd/2021-08-21
dc.type.version
info:eu-repo/semantics/acceptedVersion
dc.identifier.doi
dc.identifier.idgrec
032143
dc.contributor.funder
dc.type.peerreviewed
peer-reviewed
dc.relation.FundingProgramme
dc.relation.ProjectAcronym
dc.identifier.eissn
1521-3765