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dc.contributor.author
Nelson, Tammie
dc.contributor.author
Fernández Alberti, Sebastián
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Roitberg, Adrián
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Tretiak, Sergei
dc.date.available
2018-04-05T16:00:42Z
dc.date.issued
2017-06
dc.identifier.citation
Nelson, Tammie; Fernández Alberti, Sebastián; Roitberg, Adrián; Tretiak, Sergei; Electronic Delocalization, Vibrational Dynamics, and Energy Transfer in Organic Chromophores; American Chemical Society; The Journal of Physical Chemistry Letters; 8; 13; 6-2017; 3020-3031
dc.identifier.issn
1948-7185
dc.identifier.uri
http://hdl.handle.net/11336/40875
dc.description.abstract
The efficiency of materials developed for solar energy and technological applications depends on the interplay between molecular architecture and light-induced electronic energy redistribution. The spatial localization of electronic excitations is very sensitive to molecular distortions. Vibrational nuclear motions can couple to electronic dynamics driving changes in localization. The electronic energy transfer among multiple chromophores arises from several distinct mechanisms that can give rise to experimentally measured signals. Atomistic simulations of coupled electron-vibrational dynamics can help uncover the nuclear motions directing energy flow. Through careful analysis of excited state wave function evolution and a useful fragmenting of multichromophore systems, through-bond transport and exciton hopping (through-space) mechanisms can be distinguished. Such insights are crucial in the interpretation of fluorescence anisotropy measurements and can aid materials design. This Perspective highlights the interconnected vibrational and electronic motions at the foundation of nonadiabatic dynamics where nuclear motions, including torsional rotations and bond vibrations, drive electronic transitions.
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application/pdf
dc.language.iso
eng
dc.publisher
American Chemical Society
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Nonadiabatic Dynamics
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Excited States
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Conjugated Molecules
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Otras Ciencias Químicas
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Ciencias Químicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
Electronic Delocalization, Vibrational Dynamics, and Energy Transfer in Organic Chromophores
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2018-04-05T13:43:34Z
dc.journal.volume
8
dc.journal.number
13
dc.journal.pagination
3020-3031
dc.journal.pais
Estados Unidos
dc.description.fil
Fil: Nelson, Tammie. Los Alamos National High Magnetic Field Laboratory; Estados Unidos
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Fil: Fernández Alberti, Sebastián. Universidad Nacional de Quilmes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
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Fil: Roitberg, Adrián. University of Florida; Estados Unidos
dc.description.fil
Fil: Tretiak, Sergei. Los Alamos National High Magnetic Field Laboratory; Estados Unidos
dc.journal.title
The Journal of Physical Chemistry Letters
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/acs.jpclett.7b00790
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/acs.jpclett.7b00790
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