ESTUDIO EXPERIMENTAL Y TEÓRICO DE LA ELECTRO-OXIDACIÓN DE DERIVADOS DE TIOFENO

A serie of thiophene derivatives having functional groups of different nature between 2 and 2' ring positions has been synthesized. Through ab-initio calculations using HF 6-31G basis, the geommetry was optimized and the atomic distribution of the electronic densities of each neutral molecules...

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Autores principales:	BROVELLI,FRANCISCO, DEL VALLE,M. ANGÉLICA, DÍAZ,FERNANDO R., CHRISTIAN BERNÈDE,J.
Lenguaje:	English
Publicado:	Sociedad Chilena de Química 2001
Materias:	electrochemical oxidation redox potential thiophene thiophene derivatives ab-initio calculations
Acceso en línea:	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0366-16442001000300012
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spelling	oai:scielo:S0366-164420010003000122002-02-05ESTUDIO EXPERIMENTAL Y TEÓRICO DE LA ELECTRO-OXIDACIÓN DE DERIVADOS DE TIOFENOBROVELLI,FRANCISCODEL VALLE,M. ANGÉLICADÍAZ,FERNANDO R.CHRISTIAN BERNÈDE,J. electrochemical oxidation redox potential thiophene thiophene derivatives ab-initio calculations A serie of thiophene derivatives having functional groups of different nature between 2 and 2' ring positions has been synthesized. Through ab-initio calculations using HF 6-31G basis, the geommetry was optimized and the atomic distribution of the electronic densities of each neutral molecules were determined. It was found that the electronic density depends strongly on the nature of the atoms bonded to 2 and 2' ring positions. The electro-oxidation potential of the molecules was measured by cyclic voltammetry on platinum work electrodes. An inverse relation between the electronic density and the potential was found. The electrochemical oxidation of these compounds was irreversible and the voltammetric profiles showed assymetric peaks, which can be explain by the simoultaneous oxidation of the heterocyclic rings and the bridging functional groupsinfo:eu-repo/semantics/openAccessSociedad Chilena de QuímicaBoletín de la Sociedad Chilena de Química v.46 n.3 20012001-09-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0366-16442001000300012en10.4067/S0366-16442001000300012
institution	Scielo Chile
collection	Scielo Chile
language	English
topic	electrochemical oxidation redox potential thiophene thiophene derivatives ab-initio calculations
spellingShingle	electrochemical oxidation redox potential thiophene thiophene derivatives ab-initio calculations BROVELLI,FRANCISCO DEL VALLE,M. ANGÉLICA DÍAZ,FERNANDO R. CHRISTIAN BERNÈDE,J. ESTUDIO EXPERIMENTAL Y TEÓRICO DE LA ELECTRO-OXIDACIÓN DE DERIVADOS DE TIOFENO
description	A serie of thiophene derivatives having functional groups of different nature between 2 and 2' ring positions has been synthesized. Through ab-initio calculations using HF 6-31G basis, the geommetry was optimized and the atomic distribution of the electronic densities of each neutral molecules were determined. It was found that the electronic density depends strongly on the nature of the atoms bonded to 2 and 2' ring positions. The electro-oxidation potential of the molecules was measured by cyclic voltammetry on platinum work electrodes. An inverse relation between the electronic density and the potential was found. The electrochemical oxidation of these compounds was irreversible and the voltammetric profiles showed assymetric peaks, which can be explain by the simoultaneous oxidation of the heterocyclic rings and the bridging functional groups
author	BROVELLI,FRANCISCO DEL VALLE,M. ANGÉLICA DÍAZ,FERNANDO R. CHRISTIAN BERNÈDE,J.
author_facet	BROVELLI,FRANCISCO DEL VALLE,M. ANGÉLICA DÍAZ,FERNANDO R. CHRISTIAN BERNÈDE,J.
author_sort	BROVELLI,FRANCISCO
title	ESTUDIO EXPERIMENTAL Y TEÓRICO DE LA ELECTRO-OXIDACIÓN DE DERIVADOS DE TIOFENO
title_short	ESTUDIO EXPERIMENTAL Y TEÓRICO DE LA ELECTRO-OXIDACIÓN DE DERIVADOS DE TIOFENO
title_full	ESTUDIO EXPERIMENTAL Y TEÓRICO DE LA ELECTRO-OXIDACIÓN DE DERIVADOS DE TIOFENO
title_fullStr	ESTUDIO EXPERIMENTAL Y TEÓRICO DE LA ELECTRO-OXIDACIÓN DE DERIVADOS DE TIOFENO
title_full_unstemmed	ESTUDIO EXPERIMENTAL Y TEÓRICO DE LA ELECTRO-OXIDACIÓN DE DERIVADOS DE TIOFENO
title_sort	estudio experimental y teórico de la electro-oxidación de derivados de tiofeno
publisher	Sociedad Chilena de Química
publishDate	2001
url	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0366-16442001000300012
work_keys_str_mv	AT brovellifrancisco estudioexperimentalyteoricodelaelectrooxidaciondederivadosdetiofeno AT delvallemangelica estudioexperimentalyteoricodelaelectrooxidaciondederivadosdetiofeno AT diazfernandor estudioexperimentalyteoricodelaelectrooxidaciondederivadosdetiofeno AT christianbernedej estudioexperimentalyteoricodelaelectrooxidaciondederivadosdetiofeno
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ESTUDIO EXPERIMENTAL Y TEÓRICO DE LA ELECTRO-OXIDACIÓN DE DERIVADOS DE TIOFENO

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