ELECTROCHEMICAL AND COMPUTATIONAL STUDY OF COPPER (II) ALKYLPYRAZOLONE BASED ENAMINE COMPLEX

The cyclic voltammograms (CV) of the copper complex CuL2, L: C19H26N(3)0 [1-(n-hexyl)-3-methyl-4-[1-phenylaminopropylidene]-2-pyrazolin-5-one] have been studied. The CV profiles of CuL2 show one or two reduction and oxidation wave. The energy level corresponding to the highest occupied molecular orb...

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Autores principales:	MORENO,Y, BELMAR,J, BROVELLI,F, BULJAN,A, PEÑA,O, MORENO,L
Lenguaje:	English
Publicado:	Sociedad Chilena de Química 2008
Acceso en línea:	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072008000400011
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spelling	oai:scielo:S0717-970720080004000112009-05-22ELECTROCHEMICAL AND COMPUTATIONAL STUDY OF COPPER (II) ALKYLPYRAZOLONE BASED ENAMINE COMPLEXMORENO,YBELMAR,JBROVELLI,FBULJAN,APEÑA,OMORENO,LThe cyclic voltammograms (CV) of the copper complex CuL2, L: C19H26N(3)0 [1-(n-hexyl)-3-methyl-4-[1-phenylaminopropylidene]-2-pyrazolin-5-one] have been studied. The CV profiles of CuL2 show one or two reduction and oxidation wave. The energy level corresponding to the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of CuL2 have been determined experimentally from the first oxidation and reduction onset potential, respectively. These valúes were also estimated from Density Functional calculations. The electrochemical energy gap deduced from these measurements (Eg~1.03 eV) agrees quite well with the theoretical value.info:eu-repo/semantics/openAccessSociedad Chilena de QuímicaJournal of the Chilean Chemical Society v.53 n.4 20082008-12-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072008000400011en10.4067/S0717-97072008000400011
institution	Scielo Chile
collection	Scielo Chile
language	English
description	The cyclic voltammograms (CV) of the copper complex CuL2, L: C19H26N(3)0 [1-(n-hexyl)-3-methyl-4-[1-phenylaminopropylidene]-2-pyrazolin-5-one] have been studied. The CV profiles of CuL2 show one or two reduction and oxidation wave. The energy level corresponding to the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of CuL2 have been determined experimentally from the first oxidation and reduction onset potential, respectively. These valúes were also estimated from Density Functional calculations. The electrochemical energy gap deduced from these measurements (Eg~1.03 eV) agrees quite well with the theoretical value.
author	MORENO,Y BELMAR,J BROVELLI,F BULJAN,A PEÑA,O MORENO,L
spellingShingle	MORENO,Y BELMAR,J BROVELLI,F BULJAN,A PEÑA,O MORENO,L ELECTROCHEMICAL AND COMPUTATIONAL STUDY OF COPPER (II) ALKYLPYRAZOLONE BASED ENAMINE COMPLEX
author_facet	MORENO,Y BELMAR,J BROVELLI,F BULJAN,A PEÑA,O MORENO,L
author_sort	MORENO,Y
title	ELECTROCHEMICAL AND COMPUTATIONAL STUDY OF COPPER (II) ALKYLPYRAZOLONE BASED ENAMINE COMPLEX
title_short	ELECTROCHEMICAL AND COMPUTATIONAL STUDY OF COPPER (II) ALKYLPYRAZOLONE BASED ENAMINE COMPLEX
title_full	ELECTROCHEMICAL AND COMPUTATIONAL STUDY OF COPPER (II) ALKYLPYRAZOLONE BASED ENAMINE COMPLEX
title_fullStr	ELECTROCHEMICAL AND COMPUTATIONAL STUDY OF COPPER (II) ALKYLPYRAZOLONE BASED ENAMINE COMPLEX
title_full_unstemmed	ELECTROCHEMICAL AND COMPUTATIONAL STUDY OF COPPER (II) ALKYLPYRAZOLONE BASED ENAMINE COMPLEX
title_sort	electrochemical and computational study of copper (ii) alkylpyrazolone based enamine complex
publisher	Sociedad Chilena de Química
publishDate	2008
url	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072008000400011
work_keys_str_mv	AT morenoy electrochemicalandcomputationalstudyofcopperiialkylpyrazolonebasedenaminecomplex AT belmarj electrochemicalandcomputationalstudyofcopperiialkylpyrazolonebasedenaminecomplex AT brovellif electrochemicalandcomputationalstudyofcopperiialkylpyrazolonebasedenaminecomplex AT buljana electrochemicalandcomputationalstudyofcopperiialkylpyrazolonebasedenaminecomplex AT penao electrochemicalandcomputationalstudyofcopperiialkylpyrazolonebasedenaminecomplex AT morenol electrochemicalandcomputationalstudyofcopperiialkylpyrazolonebasedenaminecomplex
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ELECTROCHEMICAL AND COMPUTATIONAL STUDY OF COPPER (II) ALKYLPYRAZOLONE BASED ENAMINE COMPLEX

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