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dc.contributor.author
Fioressi, Silvina Ethel
dc.contributor.author
Binning, R. C.
dc.contributor.author
Bacelo, Daniel Enrique
dc.date.available
2024-09-19T13:19:16Z
dc.date.issued
2008-03
dc.identifier.citation
Fioressi, Silvina Ethel; Binning, R. C.; Bacelo, Daniel Enrique; Effects of cluster formation on spectra of benzo[a]pyrene and benzo[e]pyrene; Elsevier Science; Chemical Physics Letters; 454; 4-6; 3-2008; 269-273
dc.identifier.issn
0009-2614
dc.identifier.uri
http://hdl.handle.net/11336/244626
dc.description.abstract
Absorption and fluorescence emission spectra of the polycyclic aromatic hydrocarbons benzo[a]pyrene (BaP) and benzo[e]pyrene (BeP) in solution and adsorbed on silica have been obtained and compared to examine the spectroscopic effects of clustering. Molecular mechanics calculations with the UFF potential were done to optimize monomer, dimer and trimer geometries, and energy differences were determined by MP2/6-31G* calculations. Fluorescence emission spectra of adsorbed BeP and BaP display a red shift that progresses with increased loading, and the two differ in their photodegradation kinetics. The experimental and theoretical results are found to be consistent.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Elsevier Science
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
benzo[a]pyrene
dc.subject
benzo[e]pyrene
dc.subject
PAH
dc.subject
Cluster
dc.subject.classification
Físico-Química, Ciencia de los Polímeros, Electroquímica
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Ciencias Químicas
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
dc.title
Effects of cluster formation on spectra of benzo[a]pyrene and benzo[e]pyrene
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2024-09-18T13:05:30Z
dc.journal.volume
454
dc.journal.number
4-6
dc.journal.pagination
269-273
dc.journal.pais
Países Bajos
dc.journal.ciudad
Amsterdam
dc.description.fil
Fil: Fioressi, Silvina Ethel. Universidad de Belgrano. Facultad de Ciencias Exactas y Naturales. Departamento de Química; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.description.fil
Fil: Binning, R. C.. Universidad Metropolitana; Venezuela
dc.description.fil
Fil: Bacelo, Daniel Enrique. Universidad Nacional de la Patagonia "San Juan Bosco"; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.journal.title
Chemical Physics Letters
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0009261408001784
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.cplett.2008.02.007
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