Structural and Single Crystal EPR Studies of the Complex Copper L-Glutamine: a Weakly Exchange Coupled System with syn-anti Carboxylate Bridges
- Autores
- Schveigkardt, J.; Rizzi, Alberto Claudio; Piro, Oscar Enrique; Castellano, E.E.; Costa de Santana, R.; Calvo, Rafael; Brondino, Carlos Dante
- Año de publicación
- 2002
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- We report the molecular structure and a single crystal EPR study at 9.8 and 33.9 GHz of a new copper(II) compound with the amino acid L-Glutamine, Cu[NH2CO2CH(CH2)2CONH2]2. The CuII ion is in an elongated octahedral environment equatorially trans-coordinated by two glutamine molecules acting as bidentate ligands through the nitrogen atom and one oxygen atom of each amino acid group, and axially by two carboxylate oxygen atoms of two neighboring glutamine molecules. Copper ions are arranged in layers connected by syn-anti carboxylate bridges that provide equatorial and apical ligands to the copper ions. Neighboring layers are connected by long chemical paths, which include two amino acid side chains connected by H bonds. Single crystal EPR spectra show a single exchange-collapsed resonance at both microwave frequencies for any magnetic field orientation. The evaluation of the molecular g-tensor from the angular variation of the EPR line position yielded g⊥ = 2.051 and g|| = 2.248, which indicates a dmath image ground orbital for the Cu ions. The angular variation of the EPR line width displays a contribution that is typical of a 2-D magnetic system, and another contribution depending on the microwave frequency, which is attributed to the incomplete collapse of the resonances corresponding to magnetically nonequivalent copper ions. A quantitative analysis of the line width data allowed us to estimate a mean exchange coupling constant |J/k| = 0.42(2) K, which is assigned to the syn-anti carboxylate chemical path that connects neighboring copper ions within a layer. The results are discussed and compared with those observed in similar systems.
Fil: Schveigkardt, J.. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina
Fil: Rizzi, Alberto Claudio. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina
Fil: Piro, Oscar Enrique. Universidad Nacional de La Plata; Argentina
Fil: Castellano, E.E.. Universidade de Sao Paulo; Brasil
Fil: Costa de Santana, R.. Universidade Federal de Goiás; Brasil
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: 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 - Materia
-
Epr
Cu
Complexes - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
- Repositorio
.jpg)
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/30087
Ver los metadatos del registro completo
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Structural and Single Crystal EPR Studies of the Complex Copper L-Glutamine: a Weakly Exchange Coupled System with syn-anti Carboxylate BridgesSchveigkardt, J.Rizzi, Alberto ClaudioPiro, Oscar EnriqueCastellano, E.E.Costa de Santana, R.Calvo, RafaelBrondino, Carlos DanteEprCuComplexeshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1We report the molecular structure and a single crystal EPR study at 9.8 and 33.9 GHz of a new copper(II) compound with the amino acid L-Glutamine, Cu[NH2CO2CH(CH2)2CONH2]2. The CuII ion is in an elongated octahedral environment equatorially trans-coordinated by two glutamine molecules acting as bidentate ligands through the nitrogen atom and one oxygen atom of each amino acid group, and axially by two carboxylate oxygen atoms of two neighboring glutamine molecules. Copper ions are arranged in layers connected by syn-anti carboxylate bridges that provide equatorial and apical ligands to the copper ions. Neighboring layers are connected by long chemical paths, which include two amino acid side chains connected by H bonds. Single crystal EPR spectra show a single exchange-collapsed resonance at both microwave frequencies for any magnetic field orientation. The evaluation of the molecular g-tensor from the angular variation of the EPR line position yielded g⊥ = 2.051 and g|| = 2.248, which indicates a dmath image ground orbital for the Cu ions. The angular variation of the EPR line width displays a contribution that is typical of a 2-D magnetic system, and another contribution depending on the microwave frequency, which is attributed to the incomplete collapse of the resonances corresponding to magnetically nonequivalent copper ions. A quantitative analysis of the line width data allowed us to estimate a mean exchange coupling constant |J/k| = 0.42(2) K, which is assigned to the syn-anti carboxylate chemical path that connects neighboring copper ions within a layer. The results are discussed and compared with those observed in similar systems.Fil: Schveigkardt, J.. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; ArgentinaFil: Rizzi, Alberto Claudio. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; ArgentinaFil: Piro, Oscar Enrique. Universidad Nacional de La Plata; ArgentinaFil: Castellano, E.E.. Universidade de Sao Paulo; BrasilFil: Costa de Santana, R.. Universidade Federal de Goiás; BrasilFil: 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: 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; ArgentinaWiley VCH Verlag2002-12info: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/11336/30087Schveigkardt, J.; Rizzi, Alberto Claudio; Piro, Oscar Enrique; Castellano, E.E.; Costa de Santana, R.; et al.; Structural and Single Crystal EPR Studies of the Complex Copper L-Glutamine: a Weakly Exchange Coupled System with syn-anti Carboxylate Bridges; Wiley VCH Verlag; European Journal of Inorganic Chemistry; 12-2002; 2913-29191434-1948CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1002/1099-0682(200211)2002:11%3C2913::AID-EJIC2913%3E3.0.CO;2-Pinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:52:22Zoai:ri.conicet.gov.ar:11336/30087instacron: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 09:52:22.918CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
| dc.title.none.fl_str_mv |
Structural and Single Crystal EPR Studies of the Complex Copper L-Glutamine: a Weakly Exchange Coupled System with syn-anti Carboxylate Bridges |
| title |
Structural and Single Crystal EPR Studies of the Complex Copper L-Glutamine: a Weakly Exchange Coupled System with syn-anti Carboxylate Bridges |
| spellingShingle |
Structural and Single Crystal EPR Studies of the Complex Copper L-Glutamine: a Weakly Exchange Coupled System with syn-anti Carboxylate Bridges Schveigkardt, J. Epr Cu Complexes |
| title_short |
Structural and Single Crystal EPR Studies of the Complex Copper L-Glutamine: a Weakly Exchange Coupled System with syn-anti Carboxylate Bridges |
| title_full |
Structural and Single Crystal EPR Studies of the Complex Copper L-Glutamine: a Weakly Exchange Coupled System with syn-anti Carboxylate Bridges |
| title_fullStr |
Structural and Single Crystal EPR Studies of the Complex Copper L-Glutamine: a Weakly Exchange Coupled System with syn-anti Carboxylate Bridges |
| title_full_unstemmed |
Structural and Single Crystal EPR Studies of the Complex Copper L-Glutamine: a Weakly Exchange Coupled System with syn-anti Carboxylate Bridges |
| title_sort |
Structural and Single Crystal EPR Studies of the Complex Copper L-Glutamine: a Weakly Exchange Coupled System with syn-anti Carboxylate Bridges |
| dc.creator.none.fl_str_mv |
Schveigkardt, J. Rizzi, Alberto Claudio Piro, Oscar Enrique Castellano, E.E. Costa de Santana, R. Calvo, Rafael Brondino, Carlos Dante |
| author |
Schveigkardt, J. |
| author_facet |
Schveigkardt, J. Rizzi, Alberto Claudio Piro, Oscar Enrique Castellano, E.E. Costa de Santana, R. Calvo, Rafael Brondino, Carlos Dante |
| author_role |
author |
| author2 |
Rizzi, Alberto Claudio Piro, Oscar Enrique Castellano, E.E. Costa de Santana, R. Calvo, Rafael Brondino, Carlos Dante |
| author2_role |
author author author author author author |
| dc.subject.none.fl_str_mv |
Epr Cu Complexes |
| topic |
Epr Cu 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 molecular structure and a single crystal EPR study at 9.8 and 33.9 GHz of a new copper(II) compound with the amino acid L-Glutamine, Cu[NH2CO2CH(CH2)2CONH2]2. The CuII ion is in an elongated octahedral environment equatorially trans-coordinated by two glutamine molecules acting as bidentate ligands through the nitrogen atom and one oxygen atom of each amino acid group, and axially by two carboxylate oxygen atoms of two neighboring glutamine molecules. Copper ions are arranged in layers connected by syn-anti carboxylate bridges that provide equatorial and apical ligands to the copper ions. Neighboring layers are connected by long chemical paths, which include two amino acid side chains connected by H bonds. Single crystal EPR spectra show a single exchange-collapsed resonance at both microwave frequencies for any magnetic field orientation. The evaluation of the molecular g-tensor from the angular variation of the EPR line position yielded g⊥ = 2.051 and g|| = 2.248, which indicates a dmath image ground orbital for the Cu ions. The angular variation of the EPR line width displays a contribution that is typical of a 2-D magnetic system, and another contribution depending on the microwave frequency, which is attributed to the incomplete collapse of the resonances corresponding to magnetically nonequivalent copper ions. A quantitative analysis of the line width data allowed us to estimate a mean exchange coupling constant |J/k| = 0.42(2) K, which is assigned to the syn-anti carboxylate chemical path that connects neighboring copper ions within a layer. The results are discussed and compared with those observed in similar systems. Fil: Schveigkardt, J.. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina Fil: Rizzi, Alberto Claudio. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina Fil: Piro, Oscar Enrique. Universidad Nacional de La Plata; Argentina Fil: Castellano, E.E.. Universidade de Sao Paulo; Brasil Fil: Costa de Santana, R.. Universidade Federal de Goiás; Brasil 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: 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 |
| description |
We report the molecular structure and a single crystal EPR study at 9.8 and 33.9 GHz of a new copper(II) compound with the amino acid L-Glutamine, Cu[NH2CO2CH(CH2)2CONH2]2. The CuII ion is in an elongated octahedral environment equatorially trans-coordinated by two glutamine molecules acting as bidentate ligands through the nitrogen atom and one oxygen atom of each amino acid group, and axially by two carboxylate oxygen atoms of two neighboring glutamine molecules. Copper ions are arranged in layers connected by syn-anti carboxylate bridges that provide equatorial and apical ligands to the copper ions. Neighboring layers are connected by long chemical paths, which include two amino acid side chains connected by H bonds. Single crystal EPR spectra show a single exchange-collapsed resonance at both microwave frequencies for any magnetic field orientation. The evaluation of the molecular g-tensor from the angular variation of the EPR line position yielded g⊥ = 2.051 and g|| = 2.248, which indicates a dmath image ground orbital for the Cu ions. The angular variation of the EPR line width displays a contribution that is typical of a 2-D magnetic system, and another contribution depending on the microwave frequency, which is attributed to the incomplete collapse of the resonances corresponding to magnetically nonequivalent copper ions. A quantitative analysis of the line width data allowed us to estimate a mean exchange coupling constant |J/k| = 0.42(2) K, which is assigned to the syn-anti carboxylate chemical path that connects neighboring copper ions within a layer. The results are discussed and compared with those observed in similar systems. |
| publishDate |
2002 |
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2002-12 |
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info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion http://purl.org/coar/resource_type/c_6501 info:ar-repo/semantics/articulo |
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article |
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publishedVersion |
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http://hdl.handle.net/11336/30087 Schveigkardt, J.; Rizzi, Alberto Claudio; Piro, Oscar Enrique; Castellano, E.E.; Costa de Santana, R.; et al.; Structural and Single Crystal EPR Studies of the Complex Copper L-Glutamine: a Weakly Exchange Coupled System with syn-anti Carboxylate Bridges; Wiley VCH Verlag; European Journal of Inorganic Chemistry; 12-2002; 2913-2919 1434-1948 CONICET Digital CONICET |
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http://hdl.handle.net/11336/30087 |
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Schveigkardt, J.; Rizzi, Alberto Claudio; Piro, Oscar Enrique; Castellano, E.E.; Costa de Santana, R.; et al.; Structural and Single Crystal EPR Studies of the Complex Copper L-Glutamine: a Weakly Exchange Coupled System with syn-anti Carboxylate Bridges; Wiley VCH Verlag; European Journal of Inorganic Chemistry; 12-2002; 2913-2919 1434-1948 CONICET Digital CONICET |
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eng |
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Wiley VCH Verlag |
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