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[10]CPP‐Based Inclusion Complexes of Charged Fulleropyrrolidines. Effect of the Charge Location on the Photoinduced Electron Transfer

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cris.lastimport.scopus2024-02-12T20:09:30Z
dc.abstract.enA number of non-covalently bound donor-acceptor dyads, consisting of C60 as the electron acceptor and cycloparaphenylene (CPP) as the electron donor, have been reported. A hypsochromic shift of the charge transfer (CT) band in polar medium has been found in [10]CPP�Li+@C60. To explore this anomalous effect, we study inclusion complexes [10]CPP�Li+@C60-MP, [10]CPP�C60-MPH+, and [10] CPP�C60-PPyMe+ formed by fulleropyrrolidine derivatives and [10]CPP using the DFT/TDDFT approach. We show that the introduction of a positively charged fragment into fullerene stabilizes CT states that become the lowest-lying excited states. These charge-separated states can be generated by the decay of locally excited states on a nanosecond to picosecond time scale. The distance of the charged fragment to the center of the fullerenic cage and its accessibility to the solvent determine the strength of the hypsochromic shift.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorVoityuk, Alexander A.
dc.contributor.authorStasyuk, Anton
dc.contributor.authorSolà, Miquel
dc.contributor.authorStasyuk, Olga
dc.date.accessioned2024-01-24T15:34:59Z
dc.date.available2024-01-24T15:34:59Z
dc.date.copyright2021-06-01
dc.date.issued2021
dc.description.accesstimeAT_PUBLICATION
dc.description.financePublikacja bezkosztowa
dc.description.number34
dc.description.versionFINAL_PUBLISHED
dc.description.volume27
dc.identifier.doi10.1002/CHEM.202005516
dc.identifier.issn0947-6539
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/100003
dc.identifier.weblinkhttps://onlinelibrary.wiley.com/doi/pdf/10.1002/chem.202005516
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofChemistry - A European Journal
dc.relation.pages8737-8744
dc.rightsCC-BY-NC-ND
dc.sciencecloudnosend
dc.title[10]CPP‐Based Inclusion Complexes of Charged Fulleropyrrolidines. Effect of the Charge Location on the Photoinduced Electron Transfer
dc.typeJournalArticle
dspace.entity.typePublication