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dc.contributor.author
Ondarse Alvarez, Dianelys
dc.contributor.author
Oldani, Andres Nicolas
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Roitberg, A. E.
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Kleiman, V.
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Tretiak, Sergei
dc.contributor.author
Fernández Alberti, Sebastián
dc.date.available
2020-02-21T20:17:13Z
dc.date.issued
2018-11
dc.identifier.citation
Ondarse Alvarez, Dianelys; Oldani, Andres Nicolas; Roitberg, A. E.; Kleiman, V.; Tretiak, Sergei; et al.; Energy transfer and spatial scrambling of an exciton in a conjugated dendrimer; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 20; 47; 11-2018; 29648-29660
dc.identifier.issn
1463-9076
dc.identifier.uri
http://hdl.handle.net/11336/98342
dc.description.abstract
Photoexcitation of multichromophoric light harvesting molecules induces a number of intramolecular electronic energy relaxation and redistribution pathways that can ultimately lead to ultrafast exciton self-trapping on a single chromophore unit. We investigate the photoinduced processes that take place on a phenylene-ethynylene dendrimer, consisting of nine equivalent linear chromophore units or branches. meta-Substituted links between branches break the conjugation giving rise to weak couplings between them and to localized excitations. Our nonadiabatic excited-state molecular dynamics simulations reveal that the ultrafast internal conversion process to the lowest excited state is accompanied by an inner → outer inter-branch migration of the exciton due to the entropic bias associated with energetically equivalent conjugated segments. The electronic energy redistribution among chromophore units occurs through several possible pathways in which through-bond transport and through-space exciton hopping mechanisms can be distinguished. Besides, triple bond excitations coincide with the localization of the electronic transition densities, suggesting that the intramolecular energy redistribution is a concerted electronic and vibrational energy transfer process.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Royal Society of Chemistry
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
NAESMD
dc.subject
DENDRIMERS
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CONJUGATED POLYMERS
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SPATIAL SCRAMBLING
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Físico-Química, Ciencia de los Polímeros, Electroquímica
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Ciencias Químicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
Energy transfer and spatial scrambling of an exciton in a conjugated dendrimer
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2020-02-18T16:04:16Z
dc.journal.volume
20
dc.journal.number
47
dc.journal.pagination
29648-29660
dc.journal.pais
Reino Unido
dc.journal.ciudad
Cambridge
dc.description.fil
Fil: Ondarse Alvarez, Dianelys. Universidad Nacional de Quilmes. Departamento de Ciencia y Tecnología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.description.fil
Fil: Oldani, Andres Nicolas. Universidad Nacional de Quilmes. Departamento de Ciencia y Tecnología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.description.fil
Fil: Roitberg, A. E.. University of Florida; Estados Unidos
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Fil: Kleiman, V.. University of Florida; Estados Unidos
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Fil: Tretiak, Sergei. Center for Integrated Nanotechnologies; Estados Unidos
dc.description.fil
Fil: Fernández Alberti, Sebastián. Universidad Nacional de Quilmes. Departamento de Ciencia y Tecnología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.journal.title
Physical Chemistry Chemical Physics
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/content/articlelanding/2018/CP/C8CP05852K#!divAbstract
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1039/c8cp05852k
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