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Authordc.contributor.authorFuente, J. de la 
Authordc.contributor.authorCañete Molina, Alvaro Félix es_CL
Authordc.contributor.authorSaitz Barría, Claudio es_CL
Authordc.contributor.authorJullian Matthaei, Carolina es_CL
Admission datedc.date.accessioned2008-11-10T11:24:06Z
Available datedc.date.available2008-11-10T11:24:06Z
Publication datedc.date.issued2002-08-08
Cita de ítemdc.identifier.citationJOURNAL OF PHYSICAL CHEMISTRY A 106(31):7113-7120en
Identifierdc.identifier.issn1089-5639
Identifierdc.identifier.urihttp://repositorio.uchile.cl/handle/2250/120552
Abstractdc.description.abstractPhotoreduction of 3-phenylquinoxalin-2-ones, XNQ, by triethylamine, TEA, gives a metastable semireduced quinoxalin-2-one via an electron-proton-electron transfer, with unit quantum yields at high amine concentrations. During the photoreduction, an ion-radical pair, XNQ(-.)/TEA(+.), a neutral-radical pair, XNQH(.)/TEA-H-., and an ion-pair, XNQH(-)/TEA-H+, are formed. We present time-resolved spectroscopic data and quantum mechanical semiempirical AM1, PM3, and ZINDO/S results for the transient species formed during the flash photolysis of quinoxalin-2-ones in the presence of amines. These calculations show that the neutral-radical pair and the ion-pair are similar in energy, and that the calculated spectra of all the transient species should have similar absorption bands near 400 nm in agreement with experimental results. The ZINDO/S calculated spectra of the XNQH(-)/iminium ion pair fit the experimental spectra and explain the lack of visible or near-IR absorption of the metastable compound. Energy changes between the species involved are of interest with regard to the possible use of quinoxalin-2-one/amine systems for light to chemical energy conversion or as temporal data storage devices.en
Lenguagedc.language.isoenen
Publisherdc.publisherAMER CHEMICAL SOCen
Keywordsdc.subjectAminesen
Títulodc.titlePhotoreduction of 3-phenylquinoxalin-2-ones by amines: Transient-absorption and semiempirical quantum-chemical studiesen
Document typedc.typeArtículo de revistaen


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