Efficient Electron Transfer Driven by Excited-State Structural Relaxation in Corrole–Perylenedimiide Dyad

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dc.contributor.authorKusy, Damian
dc.contributor.authorSong, Hongwei
dc.contributor.authorRząca, Antoni
dc.contributor.authorBanasiewicz, Marzena
dc.contributor.authorBarboza, Cristina A.
dc.contributor.authorKim, Dongho
dc.contributor.authorGryko, Daniel T.
dc.contributor.organizationInstitute of Organic Chemistry, Polish Academy of Sciences
dc.contributor.organizationYonsei University, Seoul, Republic of Korea
dc.contributor.organizationInstitute of Physics, Polish Academy of Sciences
dc.date.accessioned2024-08-19T15:14:15Z
dc.date.available2024-08-19T15:14:15Z
dc.date.issued2024
dc.description.abstractA sterically encumbered trans-A2B-corrole possessing a perylenediimide (PDI) scaffold in close proximity to the macrocycle has been synthesized via a straightforward route. Electronic communication as probed via steady-state absorption or cyclic voltammetry is weak in the ground state, in spite of the corrole ring and PDI being bridged by an o-phenylene unit. The TDDFT excited-state geometry optimization suggests after excitation the interchromophoric distance is markedly reduced, thus enhancing the through-space electronic coupling between the corrole and the PDI. This is corroborated by the strong deviation of the emission spectrum originating from both PDI and corrole in the dyad. Selective excitation of both donor and acceptor units triggers efficient sub-picosecond electron transfer and hole transfer, respectively, followed by fast charge recombination. In comparison to previously studied corrole–PDI dyads, both charge separation and charge recombination occur faster, because of the structural relaxation in the excited state.en
dc.description.sponsorshipPolish National Science Center, Poland (Grants OPUS 2020/37/B/ST4/00017 and HARMONIA 2018/30/M/ST5/00460); European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowka-Curie Grant Agreement No. 101007804; Interdisciplinary Center for Mathematical and Computational Modeling (ICM), University of Warsaw under computational allocation G95-1734; Poland’s high-performance Infrastructure PLGrid [ACK Cyfronet AGH] grant PLG/2022/015692; Yonsei University: National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (No. 2021R1A2C300630811).
dc.identifier.citationJ. Phys. Chem. Lett. 2024, 15, 5231−5238. https://doi.org/10.1021/acs.jpclett.4c00916
dc.identifier.doi10.1021/acs.jpclett.4c00916
dc.identifier.issn1948-7185
dc.identifier.urihttps://open.icm.edu.pl/handle/123456789/24716
dc.language.isoen
dc.publisherACS Publications
dc.rightsUznanie autorstwa 4.0 Międzynarodoween
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.sourceThe Journal of Physical Chemistry Letters
dc.titleEfficient Electron Transfer Driven by Excited-State Structural Relaxation in Corrole–Perylenedimiide Dyaden
dc.typearticle
dc.type.versionpublishedVersion
person.identifier.orcidKusy, Damian [0000-0002-0643-3478]
person.identifier.orcidGryko, Daniel T. [0000-0002-2146-1282]
person.identifier.orcidBanasiewicz, Marzena [0000-0002-8251-5440]
person.identifier.orcidBarboza, Cristina A. [0000-0001-8257-3862]
person.identifier.orcidKim, Dongho [0000-0001-8668-2644]
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