Photoinduced electron transfer in multi-chromophore system: unusual environmental effects in fullerene-Zn-porphyrin-BODIPY triad
dc.contributor.author
dc.date.accessioned
2020-01-07T10:28:59Z
dc.date.available
2021-04-07T08:03:01Z
dc.date.issued
2019-11-01
dc.identifier.issn
1463-9076
dc.identifier.uri
dc.description.abstract
Molecular arrays containing donor-acceptor sites and antenna molecules are promising candidates for organic photovoltaic devices. Photoinduced electron transfer (PET) in multi-chromophore systems is controlled by a subtle interplay of donor and acceptor properties and solvent effect. In the present study, we explore how PET of fullerene [C60]-Zn-Porphyrin-BODIPY triad can be modulated by passing from non-polar to polar media. To this aim we perform computational study of this complex using the DFT/TDDFT method. [C60]-Zn-Porphyrin-BODIPY demonstrates significant contrast between stabilization of CT states in which the BODIPY moiety acts as electron donor forming or electron acceptor. To understand the effect of the environment polarity on the PET processes a detailed analysis of initial and final states involved in the ET is performed. Computed electron transfer rates revealed the dependence of photoinduced charge separation properties on the environment, namely we found that increase in solvent polarity leads to the involvement of an additional deactivation channel, which does not play a role in non-polar solvents
dc.description.sponsorship
We are grateful for financial support from the Spanish MINECO (Network CTQ2016-81911-REDT and
projects CTQ2017-85341-P and CTQ2015-69363-P), the Catalan DIUE (2017SGR39, XRQTC, and ICREA
Academia 2014 Award to M.S.), and the FEDER fund (UNGI10-4E-801). Juan de la Cierva formación
contracts (FJCI–2016–29448 to A.J.S. and FJCI–2017–32757 to O.A.S.) are acknowledged
dc.format.extent
10 p.
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/
info:eu-repo/grantAgreement/MINECO//CTQ2015-69363-P/ES/OMPUTACION DEL ESTADO EXCITADO: DE ESPECTROS MOLECULARES A SISTEMAS MULTICROMOFORICOS/
dc.relation.isformatof
Versió postprint del document publicat a: https://doi.org/10.1039/C9CP04104D
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© Physical Chemistry Chemical Physics, 2019, vol. 21, núm. 45, p. 25098-25107
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Articles publicats (D-Q)
dc.rights
Tots els drets reservats
dc.source
Stasyuk, Anton J. Stasyuk, Olga A. Solà i Puig, Miquel Voityuk, Alexander A. 2019 Photoinduced electron transfer in multi-chromophore system. Unusual environmental effects in fullerene-Zn-porphyrin-BODIPY triad. Physical Chemistry Chemical Physics 21 25098 25107
dc.title
Photoinduced electron transfer in multi-chromophore system: unusual environmental effects in fullerene-Zn-porphyrin-BODIPY triad
dc.type
info:eu-repo/semantics/article
dc.rights.accessRights
info:eu-repo/semantics/openAccess
dc.embargo.terms
2020-11-01T00:00:00Z
dc.date.embargoEndDate
info:eu-repo/date/embargoEnd/2020-11-01
dc.type.version
info:eu-repo/semantics/acceptedVersion
dc.identifier.doi
dc.identifier.idgrec
030515
dc.contributor.funder
dc.type.peerreviewed
peer-reviewed
dc.relation.FundingProgramme
dc.relation.ProjectAcronym
dc.identifier.eissn
1463-9084