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Authordc.contributor.authorOlea Azar, Claudio 
Authordc.contributor.authorMendizábal Emaldía, Fernando es_CL
Authordc.contributor.authorAlarcón, Jaime es_CL
Authordc.contributor.authorBriones, Rodolfo es_CL
Authordc.contributor.authorCassels Niven, Brucees_CL
Authordc.contributor.authorDelgado Castro, Tomás es_CL
Authordc.contributor.authorAraya Maturana, Ramiro es_CL
Admission datedc.date.accessioned2008-09-30T16:02:10Z
Available datedc.date.available2008-09-30T16:02:10Z
Publication datedc.date.issued2001-08
Cita de ítemdc.identifier.citationSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 57(9):1889-1895en
Identifierdc.identifier.issn1386-1425
Identifierdc.identifier.urihttps://repositorio.uchile.cl/handle/2250/120536
Abstractdc.description.abstractThe ESR spectra of radicals obtained by electrolytic reduction of 4,4-dimethylanthracene- 1,9,10 (4H)-trione (1) and the regioisomeric quinones 8-acetyloxymethyl-4,4,5-trimethyl- (2), and 5-acetyloxy-methyl-4,4,8-trimethyl-(4H)-1.9,10-anthracenetrione (3) were measured in DMSO and analyzed by quantum chemical calculations. The electrochemistry of these compounds was characterized using cyclic voltammetry, in DMSO and DMF solvents and compared with nifurtimox. The quinones were also reduced by microsomal NADPH-cytochrome P-450 reductase and the corresponding radicals species were also detected by ESR spectroscopy. AMI, INDO, and ADF calculations were performed to obtain the optimized geometries, theoretical hyperfine constants, and spin distributions, respectively. Density functional theory was used to rationalize the reduction potential of these compoundsen
Lenguagedc.language.isoenen
Publisherdc.publisherPERGAMON-ELSEVIER SCIENCE LTDen
Keywordsdc.subjectElectron spin resonanceen
Títulodc.titleElectron spin resonance studies and theoretical quantum calculations of free radicals generated from anthracenetrione by electrochemical and microsomal reductionen
Document typedc.typeArtículo de revistaen


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