Mostrar el registro sencillo del ítem
dc.contributor.author
Franklin Mergarejo, Ricardo
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.contributor.author
Nelson, Tammie
dc.contributor.author
Tretiak, Sergei
dc.contributor.author
Fernández Alberti, Sebastián
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.date.available
2018-04-05T14:26:34Z
dc.date.issued
2017-03
dc.identifier.citation
Franklin Mergarejo, Ricardo; Nelson, Tammie; Tretiak, Sergei; Fernández Alberti, Sebastián; Phonon Bottleneck and Long-Lived Excited States in pi-Conjugated Pyrene Hoop; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 19; 14; 3-2017; 9478-9484
dc.identifier.issn
1463-9076
dc.identifier.uri
http://hdl.handle.net/11336/40838
dc.description.abstract
In the last decade, recent synthetic advances have launched carbon-based π-conjugated hoops to the forefront of theoretical and experimental nvestigation not only for their potential use as bottom-up templates for carbon nanotube (CNT) growth, but also for the interesting excitoniceffects arising from the cyclic geometry, unique pi-system orientation, and unusual electronic interactions and couplings. In particular, cyclic materials based on pyrene, a common component in organic electronics, are popular candidates for the future design of pi-conjugated nanorings foroptoelectronic applications. Understanding the photophysical response in cyclic oligopyrenes can be achieved using Non-Adiabatic Excited State molecular Dynamics (NA-ESMD). Through NA-ESMD modeling, we reveal details of the nonradiative relaxation processes in the circular pyrenetetramer [4]cyclo-2,7-pyrenylene ([4]CPY) where we find that the strong non-adiabatic coupling combined with the dense manifold of excited states creates an internal conversion mechanism dominated by ultrafast sequential quantum transitions. However, we observe two long-lived electronic excited states that introduce a phonon bottleneck in the electronic relaxation process. In fact, the timescale for the electronic relaxation is almost exclusively dominated by the lifetimes of the long-lived states. We find that the states associated with the phonon bottleneck are separatedfrom lower energy states by large energy gaps and are characterized by localization on a single pyrene unit resulting in a spatial mismatch with strongly delocalized neighboring states.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Royal Society of Chemistry
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Na-Esmd
dc.subject
Phonon Bottleneck And Long-Lived Excited States
dc.subject
Pi-Conjugated Pyrene Hoop
dc.subject.classification
Otras Ciencias Químicas
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.subject.classification
Ciencias Químicas
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.title
Phonon Bottleneck and Long-Lived Excited States in pi-Conjugated Pyrene Hoop
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2018-04-04T14:14:22Z
dc.journal.volume
19
dc.journal.number
14
dc.journal.pagination
9478-9484
dc.journal.pais
Reino Unido
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.journal.ciudad
CAMBRIDGE
dc.description.fil
Fil: Franklin Mergarejo, Ricardo. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Quilmes; Argentina
dc.description.fil
Fil: Nelson, Tammie. Los Alamos National Laboratory; Estados Unidos
dc.description.fil
Fil: Tretiak, Sergei. Los Alamos National Laboratory; Estados Unidos
dc.description.fil
Fil: Fernández Alberti, Sebastián. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Quilmes; Argentina
dc.journal.title
Physical Chemistry Chemical Physics
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1039/C7CP00094D
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/Content/ArticleLanding/2017/CP/C7CP00094D
Archivos asociados