The hunter falls prey: photoinduced oxidation of C60 in inclusion complex with perfluorocycloparaphenylene
dc.contributor.author
dc.date.accessioned
2022-09-14T09:49:19Z
dc.date.available
2022-09-14T09:49:19Z
dc.date.issued
2022-08-17
dc.identifier.issn
1439-4235
dc.identifier.uri
dc.description.abstract
Perfluorocycloparaphenylenes (PFCPPs) are cycloparaphenylenes (CPPs) in which all hydrogen atoms have been replaced by fluorine atoms. Like CPPs, PFCPPs are highly strained, hoop-shaped π-conjugated molecules. In this article, we report a computational modeling of photoinduced electron transfer processes in the inclusion complex of PF[10]CPP with C60 fullerene. Its unique feature is the favorable electron transfer from C60 to the host molecule. The photooxidation of C60 is predicted to occur on a sub-nanosecond timescale. The PF[10]CPP⊃C60 dyad is the first nanoring-fullerene complex in which C60 acts as an electron donor in the photoinduced charge separation
dc.description.sponsorship
We are grateful for financial support from the Spanish MINECO
(Network RED2018-102815-T, project PID2020-113711GB-I00, and
Juan de la Cierva contract IJC2019-039846-I to A. J. S.), the
Catalan DIUE (2017SGR39), and the University of Girona (POSTDOC-UdG 2021/31 to O. A. S.)
Open Access funding provided thanks to the CRUE-CSIC agreement with Wiley
dc.format.mimetype
application/pdf
dc.language.iso
eng
dc.publisher
Wiley-VCH Verlag
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Reproducció digital del document publicat a: https://doi.org/10.1002/cphc.202200226
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ChemPhysChem, 2022, vol. 23, núm. 16, p. e202200226
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Articles publicats (D-Q)
dc.rights
Reconeixement-NoComercial-SenseObraDerivada 4.0 Internacional
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dc.source
Stasyuk, Anton J. Stasyuk, Olga A. Solà i Puig, Miquel Voityuk, Alexander A. 2022 The hunter falls prey: photoinduced oxidation of C60 in inclusion complex with perfluorocycloparaphenylene ChemPhysChem 23 16 e202200226
dc.subject
dc.title
The hunter falls prey: photoinduced oxidation of C60 in inclusion complex with perfluorocycloparaphenylene
dc.type
info:eu-repo/semantics/article
dc.rights.accessRights
info:eu-repo/semantics/openAccess
dc.relation.projectID
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2020-113711GB-I00/ES/DISEÑO Y SINTESIS DE FULLERENOS PARA LA CONSTRUCCION DE CELDAS SOLARES HIBRIDAS DE PEROVSKITA Y FULERENOS D ALTO RENDIMIENTO. UN ENFOQUE EXPERIMENTAL Y COMPUTACIONAL SINERGICO/
dc.type.version
info:eu-repo/semantics/publishedVersion
dc.identifier.doi
dc.identifier.idgrec
035583
dc.contributor.funder
dc.type.peerreviewed
peer-reviewed
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dc.identifier.eissn
1439-7641