Hypsochromic solvent shift of the charge separation band in ionic donor–acceptor Li+@C60⊂[10]CPP
dc.contributor.author
dc.date.accessioned
2019-11-12T08:09:04Z
dc.date.available
2019-11-12T08:09:04Z
dc.date.issued
2019-08-21
dc.identifier.issn
1359-7345
dc.identifier.uri
dc.description.abstract
In this work, we study computationally, using the DFT/TDDFT approach, the photoinduced electron transfer (PET) in CPP-based donor-acceptor supramolecules C60⊂[10]CPP and Li+@C60⊂[10]CPP. Based on the analysis of the excited states we find a system, Li+@C60⊂[10]CPP, which shows anomalous solvent effects, i.e., destabilization of charge separated states by polar medium
dc.description.sponsorship
We are grateful for financial support from the Spanish MINECO (Network CTQ2016-81911-REDT, 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
Royal Society of Chemistry (RSC)
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/
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Versió postprint del document publicat a: https://doi.org/10.1039/C9CC05787K
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© Chemical Communications, 2019, vol. 55, p. 11195-11198
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Articles publicats (D-Q)
dc.rights
Tots els drets reservats
dc.subject
dc.title
Hypsochromic solvent shift of the charge separation band in ionic donor–acceptor Li+@C60⊂[10]CPP
dc.type
info:eu-repo/semantics/article
dc.rights.accessRights
info:eu-repo/semantics/openAccess
dc.date.embargoEndDate
info:eu-repo/date/embargoEnd/2020-08-21
dc.type.version
info:eu-repo/semantics/acceptedVersion
dc.identifier.doi
dc.contributor.funder
dc.type.peerreviewed
peer-reviewed
dc.relation.FundingProgramme
dc.relation.ProjectAcronym
dc.identifier.eissn
1364-548X