Structure and Magnetic Properties of Layered High-Spin Co(II)(L-threonine)2(H2O)2

Autores
Rizzi, Alberto Claudio; Brondino, Carlos Dante; Calvo, Rafael; Baggio, Ricardo Fortunato; Garland, M.T.; Rapp, R.E.
Año de publicación
2003
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We report the structure and the magnetic properties of a cobalt(II) compound with the amino acid L-threonine, Co(C4H8NO3)2(H2O)2. It crystallizes in the orthorhombic chiral space group C2221, with a = 5.843(5) Å, b = 10.120(10) Å, c = 22.36(3) Å, and Z =) 4. The Co(II) ion is in a deformed octahedral environment on a 2-fold symmetry axis parallel to the crystallographic axis b. It is bonded to two threonine molecules in a bidentate fashion, via one oxygen from the carboxylate end and the R-amino nitrogen. A water molecule occupies the third independent site.
The Co(II) ions are arranged in layers with intralayer and interlayer distances of 5.84 and 11.18 Å, respectively. Magnetic measurements data reflect the molecular character of a compound with weak exchange interactions. EPR measurements in polycrystalline and single-crystal samples indicate a distorted axial symmetry around the Co(II) ion, as expected from the structural results. Eigenvalues and eigenvectors of the g tensor are determined. The measured principal g values (5.81, 4.56, and 2.23) reflect a high-spin Co(II) ion, as suggested by the type of ligands and the molecular symmetry. From the incomplete collapse of the hyperfine structure we estimate 0.25 <
|J| < 1.2 cm-1 between neighboring Co(II) ions within a layer, transmitted through H-bonds. A higher limit |J´| < 0.07 cm-1 is estimated for the exchange interactions between Co(II) ions in neighboring layers. From a global fit of a spin Hamiltonian with spin 3/2 to magnetization and EPR data we obtain a zero field splitting d ~ 231 cm-1 between the two lowest doublet states. The results are discussed in terms of the molecular and electronic structure of the compound.
Fil: Rizzi, Alberto Claudio. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina
Fil: Brondino, Carlos Dante. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Fil: Calvo, Rafael. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Fil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica; Argentina
Fil: Garland, M.T.. Universidad de Chile; Chile
Fil: Rapp, R.E.. Universidade Federal do Rio de Janeiro; Brasil
Materia
Epr
Co(Ii)
Complexes
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:11336/28553
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/28553
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Structure and Magnetic Properties of Layered High-Spin Co(II)(L-threonine)2(H2O)2Rizzi, Alberto ClaudioBrondino, Carlos DanteCalvo, RafaelBaggio, Ricardo FortunatoGarland, M.T.Rapp, R.E.EprCo(Ii)Complexeshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1We report the structure and the magnetic properties of a cobalt(II) compound with the amino acid L-threonine, Co(C4H8NO3)2(H2O)2. It crystallizes in the orthorhombic chiral space group C2221, with a = 5.843(5) Å, b = 10.120(10) Å, c = 22.36(3) Å, and Z =) 4. The Co(II) ion is in a deformed octahedral environment on a 2-fold symmetry axis parallel to the crystallographic axis b. It is bonded to two threonine molecules in a bidentate fashion, via one oxygen from the carboxylate end and the R-amino nitrogen. A water molecule occupies the third independent site.<br />The Co(II) ions are arranged in layers with intralayer and interlayer distances of 5.84 and 11.18 Å, respectively. Magnetic measurements data reflect the molecular character of a compound with weak exchange interactions. EPR measurements in polycrystalline and single-crystal samples indicate a distorted axial symmetry around the Co(II) ion, as expected from the structural results. Eigenvalues and eigenvectors of the g tensor are determined. The measured principal g values (5.81, 4.56, and 2.23) reflect a high-spin Co(II) ion, as suggested by the type of ligands and the molecular symmetry. From the incomplete collapse of the hyperfine structure we estimate 0.25 <<br />|J| < 1.2 cm-1 between neighboring Co(II) ions within a layer, transmitted through H-bonds. A higher limit |J´| < 0.07 cm-1 is estimated for the exchange interactions between Co(II) ions in neighboring layers. From a global fit of a spin Hamiltonian with spin 3/2 to magnetization and EPR data we obtain a zero field splitting d ~ 231 cm-1 between the two lowest doublet states. The results are discussed in terms of the molecular and electronic structure of the compound.Fil: Rizzi, Alberto Claudio. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; ArgentinaFil: Brondino, Carlos Dante. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; ArgentinaFil: Calvo, Rafael. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; ArgentinaFil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica; ArgentinaFil: Garland, M.T.. Universidad de Chile; ChileFil: Rapp, R.E.. Universidade Federal do Rio de Janeiro; BrasilAmerican Chemical Society2003-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/28553Rizzi, Alberto Claudio; Brondino, Carlos Dante; Calvo, Rafael; Baggio, Ricardo Fortunato; Garland, M.T.; et al.; Structure and Magnetic Properties of Layered High-Spin Co(II)(L-threonine)2(H2O)2; American Chemical Society; Inorganic Chemistry; 42; 12-2003; 4409-44160020-1669CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1021/ic026111binfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:50:38Zoai:ri.conicet.gov.ar:11336/28553instacron: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 09:50:38.307CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Structure and Magnetic Properties of Layered High-Spin Co(II)(L-threonine)2(H2O)2
title Structure and Magnetic Properties of Layered High-Spin Co(II)(L-threonine)2(H2O)2
spellingShingle Structure and Magnetic Properties of Layered High-Spin Co(II)(L-threonine)2(H2O)2
Rizzi, Alberto Claudio
Epr
Co(Ii)
Complexes
title_short Structure and Magnetic Properties of Layered High-Spin Co(II)(L-threonine)2(H2O)2
title_full Structure and Magnetic Properties of Layered High-Spin Co(II)(L-threonine)2(H2O)2
title_fullStr Structure and Magnetic Properties of Layered High-Spin Co(II)(L-threonine)2(H2O)2
title_full_unstemmed Structure and Magnetic Properties of Layered High-Spin Co(II)(L-threonine)2(H2O)2
title_sort Structure and Magnetic Properties of Layered High-Spin Co(II)(L-threonine)2(H2O)2
dc.creator.none.fl_str_mv Rizzi, Alberto Claudio
Brondino, Carlos Dante
Calvo, Rafael
Baggio, Ricardo Fortunato
Garland, M.T.
Rapp, R.E.
author Rizzi, Alberto Claudio
author_facet Rizzi, Alberto Claudio
Brondino, Carlos Dante
Calvo, Rafael
Baggio, Ricardo Fortunato
Garland, M.T.
Rapp, R.E.
author_role author
author2 Brondino, Carlos Dante
Calvo, Rafael
Baggio, Ricardo Fortunato
Garland, M.T.
Rapp, R.E.
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv Epr
Co(Ii)
Complexes
topic Epr
Co(Ii)
Complexes
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 the structure and the magnetic properties of a cobalt(II) compound with the amino acid L-threonine, Co(C4H8NO3)2(H2O)2. It crystallizes in the orthorhombic chiral space group C2221, with a = 5.843(5) Å, b = 10.120(10) Å, c = 22.36(3) Å, and Z =) 4. The Co(II) ion is in a deformed octahedral environment on a 2-fold symmetry axis parallel to the crystallographic axis b. It is bonded to two threonine molecules in a bidentate fashion, via one oxygen from the carboxylate end and the R-amino nitrogen. A water molecule occupies the third independent site.<br />The Co(II) ions are arranged in layers with intralayer and interlayer distances of 5.84 and 11.18 Å, respectively. Magnetic measurements data reflect the molecular character of a compound with weak exchange interactions. EPR measurements in polycrystalline and single-crystal samples indicate a distorted axial symmetry around the Co(II) ion, as expected from the structural results. Eigenvalues and eigenvectors of the g tensor are determined. The measured principal g values (5.81, 4.56, and 2.23) reflect a high-spin Co(II) ion, as suggested by the type of ligands and the molecular symmetry. From the incomplete collapse of the hyperfine structure we estimate 0.25 <<br />|J| < 1.2 cm-1 between neighboring Co(II) ions within a layer, transmitted through H-bonds. A higher limit |J´| < 0.07 cm-1 is estimated for the exchange interactions between Co(II) ions in neighboring layers. From a global fit of a spin Hamiltonian with spin 3/2 to magnetization and EPR data we obtain a zero field splitting d ~ 231 cm-1 between the two lowest doublet states. The results are discussed in terms of the molecular and electronic structure of the compound.
Fil: Rizzi, Alberto Claudio. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina
Fil: Brondino, Carlos Dante. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Fil: Calvo, Rafael. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Fil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica; Argentina
Fil: Garland, M.T.. Universidad de Chile; Chile
Fil: Rapp, R.E.. Universidade Federal do Rio de Janeiro; Brasil
description We report the structure and the magnetic properties of a cobalt(II) compound with the amino acid L-threonine, Co(C4H8NO3)2(H2O)2. It crystallizes in the orthorhombic chiral space group C2221, with a = 5.843(5) Å, b = 10.120(10) Å, c = 22.36(3) Å, and Z =) 4. The Co(II) ion is in a deformed octahedral environment on a 2-fold symmetry axis parallel to the crystallographic axis b. It is bonded to two threonine molecules in a bidentate fashion, via one oxygen from the carboxylate end and the R-amino nitrogen. A water molecule occupies the third independent site.<br />The Co(II) ions are arranged in layers with intralayer and interlayer distances of 5.84 and 11.18 Å, respectively. Magnetic measurements data reflect the molecular character of a compound with weak exchange interactions. EPR measurements in polycrystalline and single-crystal samples indicate a distorted axial symmetry around the Co(II) ion, as expected from the structural results. Eigenvalues and eigenvectors of the g tensor are determined. The measured principal g values (5.81, 4.56, and 2.23) reflect a high-spin Co(II) ion, as suggested by the type of ligands and the molecular symmetry. From the incomplete collapse of the hyperfine structure we estimate 0.25 <<br />|J| < 1.2 cm-1 between neighboring Co(II) ions within a layer, transmitted through H-bonds. A higher limit |J´| < 0.07 cm-1 is estimated for the exchange interactions between Co(II) ions in neighboring layers. From a global fit of a spin Hamiltonian with spin 3/2 to magnetization and EPR data we obtain a zero field splitting d ~ 231 cm-1 between the two lowest doublet states. The results are discussed in terms of the molecular and electronic structure of the compound.
publishDate 2003
dc.date.none.fl_str_mv 2003-12
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/11336/28553
Rizzi, Alberto Claudio; Brondino, Carlos Dante; Calvo, Rafael; Baggio, Ricardo Fortunato; Garland, M.T.; et al.; Structure and Magnetic Properties of Layered High-Spin Co(II)(L-threonine)2(H2O)2; American Chemical Society; Inorganic Chemistry; 42; 12-2003; 4409-4416
0020-1669
CONICET Digital
CONICET
url http://hdl.handle.net/11336/28553
identifier_str_mv Rizzi, Alberto Claudio; Brondino, Carlos Dante; Calvo, Rafael; Baggio, Ricardo Fortunato; Garland, M.T.; et al.; Structure and Magnetic Properties of Layered High-Spin Co(II)(L-threonine)2(H2O)2; American Chemical Society; Inorganic Chemistry; 42; 12-2003; 4409-4416
0020-1669
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1021/ic026111b
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
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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