CATHODIC BEHAVIOR OF 2,3-DIHYDROOXOISOAPORPHINES COMPORTAMIENTO CATÓDICO DE 2,3-DIHIDRO-OXOISOAPORFINAS

The electrochemical behavior of two representative 2,3-dihydro-7H-dibenzo[de,h]quinolin-7-ones was determined using cyclic voltammetry in DMSO as solvent and rationalized by quantum chemical calculations using ab initio and DFT methods. The ESR spectra of the radicals obtained by electrolytic reduct...

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Autores principales:	Sobarzo-Sánchez,Eduardo, Olea-Azar,Claudio, Alarcón,Jaime, Opazo,Lucía, Cassels,Bruce k.
Lenguaje:	English
Publicado:	Sociedad Chilena de Química 2003
Materias:	dihydrooxoisoaporphines 7H-dibenzo[de,h]quinolin-7-ones cyclic voltammetry ESR anion radical DFT
Acceso en línea:	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072003000200014
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spelling	oai:scielo:S0717-970720030002000142004-01-29CATHODIC BEHAVIOR OF 2,3-DIHYDROOXOISOAPORPHINES COMPORTAMIENTO CATÓDICO DE 2,3-DIHIDRO-OXOISOAPORFINASSobarzo-Sánchez,EduardoOlea-Azar,ClaudioAlarcón,JaimeOpazo,LucíaCassels,Bruce k. dihydrooxoisoaporphines 7H-dibenzo[de,h]quinolin-7-ones cyclic voltammetry ESR anion radical DFT The electrochemical behavior of two representative 2,3-dihydro-7H-dibenzo[de,h]quinolin-7-ones was determined using cyclic voltammetry in DMSO as solvent and rationalized by quantum chemical calculations using ab initio and DFT methods. The ESR spectra of the radicals obtained by electrolytic reduction were characterized and analyzed. Calculations at the HF/3-21G and DFT-B3LYP/6-311++G** levels were carried out to obtain the optimized structure, hyperfine coupling constants and to determine the values and to visualize the LUMO and SOMO energy levels, respectively. The calculated electron affinities are in agreement with the reduction potentials measured for both heterocyclic compoundsinfo:eu-repo/semantics/openAccessSociedad Chilena de QuímicaJournal of the Chilean Chemical Society v.48 n.2 20032003-06-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072003000200014en10.4067/S0717-97072003000200014
institution	Scielo Chile
collection	Scielo Chile
language	English
topic	dihydrooxoisoaporphines 7H-dibenzo[de,h]quinolin-7-ones cyclic voltammetry ESR anion radical DFT
spellingShingle	dihydrooxoisoaporphines 7H-dibenzo[de,h]quinolin-7-ones cyclic voltammetry ESR anion radical DFT Sobarzo-Sánchez,Eduardo Olea-Azar,Claudio Alarcón,Jaime Opazo,Lucía Cassels,Bruce k. CATHODIC BEHAVIOR OF 2,3-DIHYDROOXOISOAPORPHINES COMPORTAMIENTO CATÓDICO DE 2,3-DIHIDRO-OXOISOAPORFINAS
description	The electrochemical behavior of two representative 2,3-dihydro-7H-dibenzo[de,h]quinolin-7-ones was determined using cyclic voltammetry in DMSO as solvent and rationalized by quantum chemical calculations using ab initio and DFT methods. The ESR spectra of the radicals obtained by electrolytic reduction were characterized and analyzed. Calculations at the HF/3-21G and DFT-B3LYP/6-311++G** levels were carried out to obtain the optimized structure, hyperfine coupling constants and to determine the values and to visualize the LUMO and SOMO energy levels, respectively. The calculated electron affinities are in agreement with the reduction potentials measured for both heterocyclic compounds
author	Sobarzo-Sánchez,Eduardo Olea-Azar,Claudio Alarcón,Jaime Opazo,Lucía Cassels,Bruce k.
author_facet	Sobarzo-Sánchez,Eduardo Olea-Azar,Claudio Alarcón,Jaime Opazo,Lucía Cassels,Bruce k.
author_sort	Sobarzo-Sánchez,Eduardo
title	CATHODIC BEHAVIOR OF 2,3-DIHYDROOXOISOAPORPHINES COMPORTAMIENTO CATÓDICO DE 2,3-DIHIDRO-OXOISOAPORFINAS
title_short	CATHODIC BEHAVIOR OF 2,3-DIHYDROOXOISOAPORPHINES COMPORTAMIENTO CATÓDICO DE 2,3-DIHIDRO-OXOISOAPORFINAS
title_full	CATHODIC BEHAVIOR OF 2,3-DIHYDROOXOISOAPORPHINES COMPORTAMIENTO CATÓDICO DE 2,3-DIHIDRO-OXOISOAPORFINAS
title_fullStr	CATHODIC BEHAVIOR OF 2,3-DIHYDROOXOISOAPORPHINES COMPORTAMIENTO CATÓDICO DE 2,3-DIHIDRO-OXOISOAPORFINAS
title_full_unstemmed	CATHODIC BEHAVIOR OF 2,3-DIHYDROOXOISOAPORPHINES COMPORTAMIENTO CATÓDICO DE 2,3-DIHIDRO-OXOISOAPORFINAS
title_sort	cathodic behavior of 2,3-dihydrooxoisoaporphines comportamiento catódico de 2,3-dihidro-oxoisoaporfinas
publisher	Sociedad Chilena de Química
publishDate	2003
url	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072003000200014
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CATHODIC BEHAVIOR OF 2,3-DIHYDROOXOISOAPORPHINES COMPORTAMIENTO CATÓDICO DE 2,3-DIHIDRO-OXOISOAPORFINAS

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