Structural and spectroscopic study of 5,7-dihydroxy-flavone and its complex with aluminum

Autores
Castro, Gabriela Tatiana; Blanco, Sonia Encarnacion
Año de publicación
2004
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The structure, stability and molar absorptivity of the complex formed between AlCl3 and 5,7-dihydroxy-flavone in methanol were investigated using UV-Vis spectroscopy and the AM1 method. The molar ratio method and Job's method of continuous variation were applied to ascertain the stoichiometric composition of the complex in methanol at constant ionic strength. A 1:2 complex was indicated by both methods. The molar absorptivity and stability constant of the complex were determined using a simple and accurate procedure that requires solutions having the ligand and metal ion in the stoichiometric proportion. The high stability constant demonstrates that the complexation reaction is total. The structure of this complex, obtained by the quantum semi-empirical AM1 method, indicates that two classes of metal-ligand interactions are involved in the formation of the metal complex: (a) two simple covalent bonds between the aluminum atom and the oxygen atoms of o-hydroxyl groups of 5,7-dihydroxy- flavone; (b) two stronger Coulombic interactions between the aluminum atom and the carbonyl oxygen atoms of the ligand.
Fil: Castro, Gabriela Tatiana. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Departamento de Química; Argentina
Fil: Blanco, Sonia Encarnacion. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis. Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis; Argentina
Materia
5,7-DIHYDROXY-FLAVONE
AL(III) COMPLEX
AM1 CALCULATIONS
COMPLEX STRUCTURES
STABILITY
UV-VIS SPECTROSCOPY
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/137573
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/137573
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Structural and spectroscopic study of 5,7-dihydroxy-flavone and its complex with aluminumCastro, Gabriela TatianaBlanco, Sonia Encarnacion5,7-DIHYDROXY-FLAVONEAL(III) COMPLEXAM1 CALCULATIONSCOMPLEX STRUCTURESSTABILITYUV-VIS SPECTROSCOPYhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The structure, stability and molar absorptivity of the complex formed between AlCl3 and 5,7-dihydroxy-flavone in methanol were investigated using UV-Vis spectroscopy and the AM1 method. The molar ratio method and Job's method of continuous variation were applied to ascertain the stoichiometric composition of the complex in methanol at constant ionic strength. A 1:2 complex was indicated by both methods. The molar absorptivity and stability constant of the complex were determined using a simple and accurate procedure that requires solutions having the ligand and metal ion in the stoichiometric proportion. The high stability constant demonstrates that the complexation reaction is total. The structure of this complex, obtained by the quantum semi-empirical AM1 method, indicates that two classes of metal-ligand interactions are involved in the formation of the metal complex: (a) two simple covalent bonds between the aluminum atom and the oxygen atoms of o-hydroxyl groups of 5,7-dihydroxy- flavone; (b) two stronger Coulombic interactions between the aluminum atom and the carbonyl oxygen atoms of the ligand.Fil: Castro, Gabriela Tatiana. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Departamento de Química; ArgentinaFil: Blanco, Sonia Encarnacion. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis. Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis; ArgentinaElsevier2004-08info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/137573Castro, Gabriela Tatiana; Blanco, Sonia Encarnacion; Structural and spectroscopic study of 5,7-dihydroxy-flavone and its complex with aluminum; Elsevier; Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy; 60; 10; 8-2004; 2235-22411386-1425CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S1386142503005493info:eu-repo/semantics/altIdentifier/doi/10.1016/j.saa.2003.11.022info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2026-02-20T15:14:06Zoai:ri.conicet.gov.ar:11336/137573instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982026-02-20 15:14:06.771CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Structural and spectroscopic study of 5,7-dihydroxy-flavone and its complex with aluminum
title Structural and spectroscopic study of 5,7-dihydroxy-flavone and its complex with aluminum
spellingShingle Structural and spectroscopic study of 5,7-dihydroxy-flavone and its complex with aluminum
Castro, Gabriela Tatiana
5,7-DIHYDROXY-FLAVONE
AL(III) COMPLEX
AM1 CALCULATIONS
COMPLEX STRUCTURES
STABILITY
UV-VIS SPECTROSCOPY
title_short Structural and spectroscopic study of 5,7-dihydroxy-flavone and its complex with aluminum
title_full Structural and spectroscopic study of 5,7-dihydroxy-flavone and its complex with aluminum
title_fullStr Structural and spectroscopic study of 5,7-dihydroxy-flavone and its complex with aluminum
title_full_unstemmed Structural and spectroscopic study of 5,7-dihydroxy-flavone and its complex with aluminum
title_sort Structural and spectroscopic study of 5,7-dihydroxy-flavone and its complex with aluminum
dc.creator.none.fl_str_mv Castro, Gabriela Tatiana
Blanco, Sonia Encarnacion
author Castro, Gabriela Tatiana
author_facet Castro, Gabriela Tatiana
Blanco, Sonia Encarnacion
author_role author
author2 Blanco, Sonia Encarnacion
author2_role author
dc.subject.none.fl_str_mv 5,7-DIHYDROXY-FLAVONE
AL(III) COMPLEX
AM1 CALCULATIONS
COMPLEX STRUCTURES
STABILITY
UV-VIS SPECTROSCOPY
topic 5,7-DIHYDROXY-FLAVONE
AL(III) COMPLEX
AM1 CALCULATIONS
COMPLEX STRUCTURES
STABILITY
UV-VIS SPECTROSCOPY
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The structure, stability and molar absorptivity of the complex formed between AlCl3 and 5,7-dihydroxy-flavone in methanol were investigated using UV-Vis spectroscopy and the AM1 method. The molar ratio method and Job's method of continuous variation were applied to ascertain the stoichiometric composition of the complex in methanol at constant ionic strength. A 1:2 complex was indicated by both methods. The molar absorptivity and stability constant of the complex were determined using a simple and accurate procedure that requires solutions having the ligand and metal ion in the stoichiometric proportion. The high stability constant demonstrates that the complexation reaction is total. The structure of this complex, obtained by the quantum semi-empirical AM1 method, indicates that two classes of metal-ligand interactions are involved in the formation of the metal complex: (a) two simple covalent bonds between the aluminum atom and the oxygen atoms of o-hydroxyl groups of 5,7-dihydroxy- flavone; (b) two stronger Coulombic interactions between the aluminum atom and the carbonyl oxygen atoms of the ligand.
Fil: Castro, Gabriela Tatiana. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Departamento de Química; Argentina
Fil: Blanco, Sonia Encarnacion. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis. Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis; Argentina
description The structure, stability and molar absorptivity of the complex formed between AlCl3 and 5,7-dihydroxy-flavone in methanol were investigated using UV-Vis spectroscopy and the AM1 method. The molar ratio method and Job's method of continuous variation were applied to ascertain the stoichiometric composition of the complex in methanol at constant ionic strength. A 1:2 complex was indicated by both methods. The molar absorptivity and stability constant of the complex were determined using a simple and accurate procedure that requires solutions having the ligand and metal ion in the stoichiometric proportion. The high stability constant demonstrates that the complexation reaction is total. The structure of this complex, obtained by the quantum semi-empirical AM1 method, indicates that two classes of metal-ligand interactions are involved in the formation of the metal complex: (a) two simple covalent bonds between the aluminum atom and the oxygen atoms of o-hydroxyl groups of 5,7-dihydroxy- flavone; (b) two stronger Coulombic interactions between the aluminum atom and the carbonyl oxygen atoms of the ligand.
publishDate 2004
dc.date.none.fl_str_mv 2004-08
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/137573
Castro, Gabriela Tatiana; Blanco, Sonia Encarnacion; Structural and spectroscopic study of 5,7-dihydroxy-flavone and its complex with aluminum; Elsevier; Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy; 60; 10; 8-2004; 2235-2241
1386-1425
CONICET Digital
CONICET
url http://hdl.handle.net/11336/137573
identifier_str_mv Castro, Gabriela Tatiana; Blanco, Sonia Encarnacion; Structural and spectroscopic study of 5,7-dihydroxy-flavone and its complex with aluminum; Elsevier; Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy; 60; 10; 8-2004; 2235-2241
1386-1425
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S1386142503005493
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.saa.2003.11.022
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 12.9253

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