Artículo

Effects of cluster formation on spectra of benzo[a]pyrene and benzo[e]pyrene

Fioressi, Silvina EthelIcon ; Binning, R. C.; Bacelo, Daniel EnriqueIcon
Fecha de publicación: 03/2008
Editorial: Elsevier Science
Revista: Chemical Physics Letters
ISSN: 0009-2614
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:

Resumen

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.
Palabras clave: benzo[a]pyrene , benzo[e]pyrene , PAH , Cluster
 
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info:eu-repo/semantics/openAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)
Identificadores
URI: http://hdl.handle.net/11336/244626
URL: https://www.sciencedirect.com/science/article/pii/S0009261408001784
DOI: http://dx.doi.org/10.1016/j.cplett.2008.02.007
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Articulos(SEDE CENTRAL)
Articulos de SEDE CENTRAL
Citación
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
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