A combined laser flash photolysis, density functional theory and atoms in molecules study of the photochemical hydrogen abstraction by pyrene-4,5-dione

Detalhes bibliográficos
Autor(a) principal: Lucas, Nanci Camara de
Data de Publicação: 2009
Outros Autores: Elias, Mônica M., Firme, Caio L., Corrêa, Rodrigo J., Garden, Simon J., Netto Ferreira, José Carlos, Nicodem, David E.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFBA
Texto Completo: http://www.repositorio.ufba.br/ri/handle/ri/5897
Resumo: Acesso restrito: Texto completo. p. 1-7
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spelling Lucas, Nanci Camara deElias, Mônica M.Firme, Caio L.Corrêa, Rodrigo J.Garden, Simon J.Netto Ferreira, José CarlosNicodem, David E.Lucas, Nanci Camara deElias, Mônica M.Firme, Caio L.Corrêa, Rodrigo J.Garden, Simon J.Netto Ferreira, José CarlosNicodem, David E.2012-05-17T13:08:26Z2009http://www.repositorio.ufba.br/ri/handle/ri/5897v. 201, n. 1Acesso restrito: Texto completo. p. 1-7The photochemical hydrogen abstraction reaction of pyrene-4,5-dione (3) has been investigated by laser flash photolysis. Excitation ( = 355 nm) of a degassed solution of 3 in acetonitrile resulted in the formation of a detectable transient with absorption maxima at 380 and 470 nm. This transient decays with a lifetime of around 4.8 s and is quenched by oxygen. This transient is most probably a triplet state of 3. Addition of hydrogen donors, such as 2-propanol; 1,4-cyclohexadiene or 4-methoxyphenol led to the formation of a newtransient with max at 380, 500 nmand a broad absorption at 640 nm. This newtransient slowly decays with second order kinetics and was assigned to the semiquinone radical obtained from the hydrogen abstraction reaction. Using DFT and AIM calculations the reactivity of 3 and 9,10-phenanthrenequinone(1) is best interpreted as a proton coupled electron transfer like mechanism for the hydrogen abstraction from 2-propanol.Submitted by JURANDI DE SOUZA SILVA (jssufba@hotmail.com) on 2012-05-17T13:08:26Z No. of bitstreams: 1 __ac.els-cdn.com_S101060...66d543c344c8f772d2933685af53e.pdf: 316382 bytes, checksum: 1454143264632a98fbb3a27d8734568f (MD5)Made available in DSpace on 2012-05-17T13:08:26Z (GMT). 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dc.title.pt_BR.fl_str_mv A combined laser flash photolysis, density functional theory and atoms in molecules study of the photochemical hydrogen abstraction by pyrene-4,5-dione
dc.title.alternative.pt_BR.fl_str_mv JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
title A combined laser flash photolysis, density functional theory and atoms in molecules study of the photochemical hydrogen abstraction by pyrene-4,5-dione
spellingShingle A combined laser flash photolysis, density functional theory and atoms in molecules study of the photochemical hydrogen abstraction by pyrene-4,5-dione
Lucas, Nanci Camara de
Laser flash photolysis
Ortho-quinone
Triplet excited state
DFT
Hydrogen atom transfer
title_short A combined laser flash photolysis, density functional theory and atoms in molecules study of the photochemical hydrogen abstraction by pyrene-4,5-dione
title_full A combined laser flash photolysis, density functional theory and atoms in molecules study of the photochemical hydrogen abstraction by pyrene-4,5-dione
title_fullStr A combined laser flash photolysis, density functional theory and atoms in molecules study of the photochemical hydrogen abstraction by pyrene-4,5-dione
title_full_unstemmed A combined laser flash photolysis, density functional theory and atoms in molecules study of the photochemical hydrogen abstraction by pyrene-4,5-dione
title_sort A combined laser flash photolysis, density functional theory and atoms in molecules study of the photochemical hydrogen abstraction by pyrene-4,5-dione
author Lucas, Nanci Camara de
author_facet Lucas, Nanci Camara de
Elias, Mônica M.
Firme, Caio L.
Corrêa, Rodrigo J.
Garden, Simon J.
Netto Ferreira, José Carlos
Nicodem, David E.
author_role author
author2 Elias, Mônica M.
Firme, Caio L.
Corrêa, Rodrigo J.
Garden, Simon J.
Netto Ferreira, José Carlos
Nicodem, David E.
author2_role author
author
author
author
author
author
dc.contributor.author.fl_str_mv Lucas, Nanci Camara de
Elias, Mônica M.
Firme, Caio L.
Corrêa, Rodrigo J.
Garden, Simon J.
Netto Ferreira, José Carlos
Nicodem, David E.
Lucas, Nanci Camara de
Elias, Mônica M.
Firme, Caio L.
Corrêa, Rodrigo J.
Garden, Simon J.
Netto Ferreira, José Carlos
Nicodem, David E.
dc.subject.por.fl_str_mv Laser flash photolysis
Ortho-quinone
Triplet excited state
DFT
Hydrogen atom transfer
topic Laser flash photolysis
Ortho-quinone
Triplet excited state
DFT
Hydrogen atom transfer
description Acesso restrito: Texto completo. p. 1-7
publishDate 2009
dc.date.issued.fl_str_mv 2009
dc.date.accessioned.fl_str_mv 2012-05-17T13:08:26Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://www.repositorio.ufba.br/ri/handle/ri/5897
dc.identifier.number.pt_BR.fl_str_mv v. 201, n. 1
url http://www.repositorio.ufba.br/ri/handle/ri/5897
identifier_str_mv v. 201, n. 1
dc.language.iso.fl_str_mv eng
language eng
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.source.pt_BR.fl_str_mv http://dx.doi.org/10.1016/j.jphotochem.2008.08.014
dc.source.none.fl_str_mv reponame:Repositório Institucional da UFBA
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instacron_str UFBA
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reponame_str Repositório Institucional da UFBA
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