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dc.contributor.author
Romero, Angel H.  
dc.contributor.author
Romero, Ivan E.  
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Piro, Oscar Enrique  
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Echeverría, Gustavo Alberto  
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Gotopo, Lourdes A.  
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Moller, Matías N.  
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Rodríguez, Gonzalo A.  
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Cabrera, Gustavo J.  
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Castro, Erick R.  
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López, Simón E.  
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Cerecetto, Hugo E.  
dc.date.available
2023-07-26T21:08:57Z  
dc.date.issued
2021-08  
dc.identifier.citation
Romero, Angel H.; Romero, Ivan E.; Piro, Oscar Enrique; Echeverría, Gustavo Alberto; Gotopo, Lourdes A.; et al.; Photo-Induced Partially Aromatized Intramolecular Charge Transfer; American Chemical Society; Journal of Physical Chemistry B; 125; 32; 8-2021; 9268-9285  
dc.identifier.issn
1520-6106  
dc.identifier.uri
http://hdl.handle.net/11336/205734  
dc.description.abstract
Diverse models of intramolecular charge transfer (ICT) have been proposed for interpreting the origin of the charge-transfer (CT) state in donor-acceptor (D-A) dyes. However, a large variety of fused-heterocyclic dyes containing a pseudo-aromatic ring in the rigid structure have shown to be incompatible with them. To approximate a solution within the ICT concept, we reported a novel ICT model called partially aromatized intramolecular charge transfer (PAICT). PAICT involves the generation of a CT state from an ICT that occurred within a pre-excited D-A fused-heterocyclic structure possessing a pseudo-aromatic or unstable aromatic ring as the acceptor moiety. The model was proposed from the multiple-emissive mesomeric D-A N1-aryl-2-(trifluoromethyl)benzo[b][1,8]naphthyridin-4(1H)-one, whose excited mesomeric states, which are defined by the aromatic and pseudo-aromatic forms of the pyrindin-4(1H)-one ring, led to a common partial aromatized CT state upon excitation via PAICT. The latter was supported through theoretical calculations on the excited mesomeric states, one-dimensional (1D) and two-dimensional (2D) excitation-emission measurements in different solvents, and the detection of three excited states by lifetime measurements upon 370 nm excitation. The existence of mesomerism was supposed from: (i) two overlapping bands at 370-390 (or 400-420 nm) in UV-vis spectra, (ii) the direct interaction between the pyridinic nitrogen of one molecule and the carbonylic oxygen of the other found in the solid state and, (iii) the detection of three excited states by lifetime measurements. The PAICT opens new perspectives for interpreting the charge-transfer phenomenon in fused-heterocyclic dyes, in particular, those containing a pseudo-aromatic or unstable aromatic ring as an acceptor moiety.  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
American Chemical Society  
dc.rights
info:eu-repo/semantics/restrictedAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/  
dc.subject
PAICT  
dc.subject
excited state  
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fluorescence  
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theorical calculations  
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Química Orgánica  
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Ciencias Químicas  
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CIENCIAS NATURALES Y EXACTAS  
dc.title
Photo-Induced Partially Aromatized Intramolecular Charge Transfer  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2022-09-05T16:05:18Z  
dc.journal.volume
125  
dc.journal.number
32  
dc.journal.pagination
9268-9285  
dc.journal.pais
Estados Unidos  
dc.description.fil
Fil: Romero, Angel H.. Universidad de la República; Uruguay  
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Fil: Romero, Ivan E.. Universidad Central de Venezuela; Venezuela  
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Fil: Piro, Oscar Enrique. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina  
dc.description.fil
Fil: Echeverría, Gustavo Alberto. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina  
dc.description.fil
Fil: Gotopo, Lourdes A.. Universidad Central de Venezuela; Venezuela  
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Fil: Moller, Matías N.. Universidad de la República; Uruguay  
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Fil: Rodríguez, Gonzalo A.. Universidad de la Republica; Uruguay  
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Fil: Cabrera, Gustavo J.. Universidad Central de Venezuela; Venezuela  
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Fil: Castro, Erick R.. Universidade Federal do Rio Grande do Sul; Brasil  
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Fil: López, Simón E.. University of Florida; Estados Unidos  
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Fil: Cerecetto, Hugo E.. Universidad de la Republica; Uruguay  
dc.journal.title
Journal of Physical Chemistry B  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/acs.jpcb.1c03747  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/acs.jpcb.1c03747