Single Crystal EPR of the Mixed-Ligand Complex of Copper(II) with l -Glutamic Acid and 1,10-Phenanthroline: A Study on the Narrowing of the Hyperfine Structure by Exchange

Autores
Neuman, Nicolás Ignacio; Franco, Vanina Gisela; Ferroni, Felix Martín; Baggio, Ricardo Fortunato; Passeggi, Mario Cesar Genaro; Rizzi, Alberto Claudio; Brondino, Carlos Dante
Año de publicación
2012
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We report an EPR study at X- and Q-bands of polycrystalline and single crystal samples of the mixed copper(II) complex with L-glutamic acid (glu) and 1,10-phenantroline (phen), [Cu(glu)(phen)(H2O)]+ NO3 −·2(H2O). The polycrystalline sample spectrum at Q-band showed well resolved g∥ and g⊥ features and partially solved hyperfine structure at g∥, typical for weakly exchange coupled systems. This is confirmed from the angular variation of the EPR spectra which shows for certain magnetic field orientations a partially solved hyperfine structure characteristic of weak exchange, whereas a single Lorentzian line corresponding to strong exchange is observed for others. Analysis and simulation of the single crystal EPR spectra were performed using the random frequency modulation model of Anderson. Numerical simulations of the angular variation of the EPR spectra showed that the narrowing of the hyperfine structure is due to an exchange-mediated mechanism in which transitions between any pair of lines are equally likely. The exchange interaction responsible for this process is mediated by hydrophobic interactions between two phen molecules and a mixed chemical path of the type CuA−OapH···O− C−Oeq−CuB, for which we evaluated an average isotropic exchange parameter |J| ≈ 25 × 10−4 cm−1.
Fil: Neuman, Nicolás Ignacio. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Franco, Vanina Gisela. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Ferroni, Felix Martín. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica; Argentina
Fil: Passeggi, Mario Cesar Genaro. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Rizzi, Alberto Claudio. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina
Fil: Brondino, Carlos Dante. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Materia
copper
hydrophobic interaction
single crystal EPR
exchange interaction
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:11336/268022
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/268022
network_acronym_str CONICETDig
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network_name_str CONICET Digital (CONICET)
spelling Single Crystal EPR of the Mixed-Ligand Complex of Copper(II) with l -Glutamic Acid and 1,10-Phenanthroline: A Study on the Narrowing of the Hyperfine Structure by ExchangeNeuman, Nicolás IgnacioFranco, Vanina GiselaFerroni, Felix MartínBaggio, Ricardo FortunatoPasseggi, Mario Cesar GenaroRizzi, Alberto ClaudioBrondino, Carlos Dantecopperhydrophobic interactionsingle crystal EPRexchange interactionhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1We report an EPR study at X- and Q-bands of polycrystalline and single crystal samples of the mixed copper(II) complex with L-glutamic acid (glu) and 1,10-phenantroline (phen), [Cu(glu)(phen)(H2O)]+ NO3 −·2(H2O). The polycrystalline sample spectrum at Q-band showed well resolved g∥ and g⊥ features and partially solved hyperfine structure at g∥, typical for weakly exchange coupled systems. This is confirmed from the angular variation of the EPR spectra which shows for certain magnetic field orientations a partially solved hyperfine structure characteristic of weak exchange, whereas a single Lorentzian line corresponding to strong exchange is observed for others. Analysis and simulation of the single crystal EPR spectra were performed using the random frequency modulation model of Anderson. Numerical simulations of the angular variation of the EPR spectra showed that the narrowing of the hyperfine structure is due to an exchange-mediated mechanism in which transitions between any pair of lines are equally likely. The exchange interaction responsible for this process is mediated by hydrophobic interactions between two phen molecules and a mixed chemical path of the type CuA−OapH···O− C−Oeq−CuB, for which we evaluated an average isotropic exchange parameter |J| ≈ 25 × 10−4 cm−1.Fil: Neuman, Nicolás Ignacio. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; ArgentinaFil: Franco, Vanina Gisela. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; ArgentinaFil: Ferroni, Felix Martín. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; ArgentinaFil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica; ArgentinaFil: Passeggi, Mario Cesar Genaro. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; ArgentinaFil: Rizzi, Alberto Claudio. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; ArgentinaFil: Brondino, Carlos Dante. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; ArgentinaAmerican Chemical Society2012-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/268022Neuman, Nicolás Ignacio; Franco, Vanina Gisela; Ferroni, Felix Martín; Baggio, Ricardo Fortunato; Passeggi, Mario Cesar Genaro; et al.; Single Crystal EPR of the Mixed-Ligand Complex of Copper(II) with l -Glutamic Acid and 1,10-Phenanthroline: A Study on the Narrowing of the Hyperfine Structure by Exchange; American Chemical Society; Journal of Physical Chemistry A; 116; 50; 12-2012; 12314-123201089-5639CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/jp308745einfo:eu-repo/semantics/altIdentifier/doi/10.1021/jp308745einfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:43:17Zoai:ri.conicet.gov.ar:11336/268022instacron: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:34982025-09-03 09:43:17.401CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Single Crystal EPR of the Mixed-Ligand Complex of Copper(II) with l -Glutamic Acid and 1,10-Phenanthroline: A Study on the Narrowing of the Hyperfine Structure by Exchange
title Single Crystal EPR of the Mixed-Ligand Complex of Copper(II) with l -Glutamic Acid and 1,10-Phenanthroline: A Study on the Narrowing of the Hyperfine Structure by Exchange
spellingShingle Single Crystal EPR of the Mixed-Ligand Complex of Copper(II) with l -Glutamic Acid and 1,10-Phenanthroline: A Study on the Narrowing of the Hyperfine Structure by Exchange
Neuman, Nicolás Ignacio
copper
hydrophobic interaction
single crystal EPR
exchange interaction
title_short Single Crystal EPR of the Mixed-Ligand Complex of Copper(II) with l -Glutamic Acid and 1,10-Phenanthroline: A Study on the Narrowing of the Hyperfine Structure by Exchange
title_full Single Crystal EPR of the Mixed-Ligand Complex of Copper(II) with l -Glutamic Acid and 1,10-Phenanthroline: A Study on the Narrowing of the Hyperfine Structure by Exchange
title_fullStr Single Crystal EPR of the Mixed-Ligand Complex of Copper(II) with l -Glutamic Acid and 1,10-Phenanthroline: A Study on the Narrowing of the Hyperfine Structure by Exchange
title_full_unstemmed Single Crystal EPR of the Mixed-Ligand Complex of Copper(II) with l -Glutamic Acid and 1,10-Phenanthroline: A Study on the Narrowing of the Hyperfine Structure by Exchange
title_sort Single Crystal EPR of the Mixed-Ligand Complex of Copper(II) with l -Glutamic Acid and 1,10-Phenanthroline: A Study on the Narrowing of the Hyperfine Structure by Exchange
dc.creator.none.fl_str_mv Neuman, Nicolás Ignacio
Franco, Vanina Gisela
Ferroni, Felix Martín
Baggio, Ricardo Fortunato
Passeggi, Mario Cesar Genaro
Rizzi, Alberto Claudio
Brondino, Carlos Dante
author Neuman, Nicolás Ignacio
author_facet Neuman, Nicolás Ignacio
Franco, Vanina Gisela
Ferroni, Felix Martín
Baggio, Ricardo Fortunato
Passeggi, Mario Cesar Genaro
Rizzi, Alberto Claudio
Brondino, Carlos Dante
author_role author
author2 Franco, Vanina Gisela
Ferroni, Felix Martín
Baggio, Ricardo Fortunato
Passeggi, Mario Cesar Genaro
Rizzi, Alberto Claudio
Brondino, Carlos Dante
author2_role author
author
author
author
author
author
dc.subject.none.fl_str_mv copper
hydrophobic interaction
single crystal EPR
exchange interaction
topic copper
hydrophobic interaction
single crystal EPR
exchange interaction
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv We report an EPR study at X- and Q-bands of polycrystalline and single crystal samples of the mixed copper(II) complex with L-glutamic acid (glu) and 1,10-phenantroline (phen), [Cu(glu)(phen)(H2O)]+ NO3 −·2(H2O). The polycrystalline sample spectrum at Q-band showed well resolved g∥ and g⊥ features and partially solved hyperfine structure at g∥, typical for weakly exchange coupled systems. This is confirmed from the angular variation of the EPR spectra which shows for certain magnetic field orientations a partially solved hyperfine structure characteristic of weak exchange, whereas a single Lorentzian line corresponding to strong exchange is observed for others. Analysis and simulation of the single crystal EPR spectra were performed using the random frequency modulation model of Anderson. Numerical simulations of the angular variation of the EPR spectra showed that the narrowing of the hyperfine structure is due to an exchange-mediated mechanism in which transitions between any pair of lines are equally likely. The exchange interaction responsible for this process is mediated by hydrophobic interactions between two phen molecules and a mixed chemical path of the type CuA−OapH···O− C−Oeq−CuB, for which we evaluated an average isotropic exchange parameter |J| ≈ 25 × 10−4 cm−1.
Fil: Neuman, Nicolás Ignacio. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Franco, Vanina Gisela. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Ferroni, Felix Martín. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica; Argentina
Fil: Passeggi, Mario Cesar Genaro. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Rizzi, Alberto Claudio. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina
Fil: Brondino, Carlos Dante. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
description We report an EPR study at X- and Q-bands of polycrystalline and single crystal samples of the mixed copper(II) complex with L-glutamic acid (glu) and 1,10-phenantroline (phen), [Cu(glu)(phen)(H2O)]+ NO3 −·2(H2O). The polycrystalline sample spectrum at Q-band showed well resolved g∥ and g⊥ features and partially solved hyperfine structure at g∥, typical for weakly exchange coupled systems. This is confirmed from the angular variation of the EPR spectra which shows for certain magnetic field orientations a partially solved hyperfine structure characteristic of weak exchange, whereas a single Lorentzian line corresponding to strong exchange is observed for others. Analysis and simulation of the single crystal EPR spectra were performed using the random frequency modulation model of Anderson. Numerical simulations of the angular variation of the EPR spectra showed that the narrowing of the hyperfine structure is due to an exchange-mediated mechanism in which transitions between any pair of lines are equally likely. The exchange interaction responsible for this process is mediated by hydrophobic interactions between two phen molecules and a mixed chemical path of the type CuA−OapH···O− C−Oeq−CuB, for which we evaluated an average isotropic exchange parameter |J| ≈ 25 × 10−4 cm−1.
publishDate 2012
dc.date.none.fl_str_mv 2012-12
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/11336/268022
Neuman, Nicolás Ignacio; Franco, Vanina Gisela; Ferroni, Felix Martín; Baggio, Ricardo Fortunato; Passeggi, Mario Cesar Genaro; et al.; Single Crystal EPR of the Mixed-Ligand Complex of Copper(II) with l -Glutamic Acid and 1,10-Phenanthroline: A Study on the Narrowing of the Hyperfine Structure by Exchange; American Chemical Society; Journal of Physical Chemistry A; 116; 50; 12-2012; 12314-12320
1089-5639
CONICET Digital
CONICET
url http://hdl.handle.net/11336/268022
identifier_str_mv Neuman, Nicolás Ignacio; Franco, Vanina Gisela; Ferroni, Felix Martín; Baggio, Ricardo Fortunato; Passeggi, Mario Cesar Genaro; et al.; Single Crystal EPR of the Mixed-Ligand Complex of Copper(II) with l -Glutamic Acid and 1,10-Phenanthroline: A Study on the Narrowing of the Hyperfine Structure by Exchange; American Chemical Society; Journal of Physical Chemistry A; 116; 50; 12-2012; 12314-12320
1089-5639
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://pubs.acs.org/doi/10.1021/jp308745e
info:eu-repo/semantics/altIdentifier/doi/10.1021/jp308745e
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
application/pdf
application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
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 13.13397

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