Growth, EPR and Optical Absorption Spectra of L-Threonine Single Crystals Doped with Cu2+ Ions

Autores
Santana, R. C.; Cunha, R. O.; Santos, M. G.; Ferreira, K. D.; Carvalho, J. F.; Calvo, Rafael
Año de publicación
2007
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We investigated the crystal growth, electron paramagnetic resonance (EPR) and optical absorption spectra of L-threonine doped with Cu2+. The quality, size and habit of the single crystals grown from aqueous solution by the slow solvent evaporation and by the cooling method vary when the impurities are introduced during the growth process. The angular variations of the EPR spectra of single crystal samples at room temperature and 9.77 GHz with the magnetic field orientation in three crystal planes (ab, bc and ac) show the presence of copper impurities in four symmetry related interstitial sites of the unit cell. These spectra display well resolved hyperfine couplings of the S = ½ of Cu2+ with the ICu=3/2 of the copper nuclei. Additional hyperfine splittings, well resolved only for specific orientations of the magnetic field, indicate that the copper ions have two N ligands with approximately equal hyperfine couplings. The principal values of the g and ACu tensors calculated from the EPR data are g1= 2.051(1), g2 = 2.062(2), g3 = 2.260(2), A1= 16.9(5)10-4 cm-1, A2= 21.8(6)10-4 cm-1, A3= 180.0(5)10-4 cm-1. The principal directions corresponding to g3 and to A3 are coincident within the experimental error and reflect the orientation of the bonding planes of the copper ions in the crystal. The values of the crystal field parameters are evaluated from the optical absorption spectrum and the bonding parameters of the Cu impurities in the crystal are calculated and analyzed. The EPR and optical absorption results are discussed in terms of the crystal structure of L-threonine and the electronic structure of the Cu2+ ions, and compared with data reported for other systems. The effect of the impurities in the growth and habit of the crystals is discussed.
Fil: Santana, R. C.. Universidade Federal de Goiás; Brasil
Fil: Cunha, R. O.. Universidade Federal de Goiás; Brasil
Fil: Santos, M. G.. Universidade Federal de Goiás; Brasil
Fil: Ferreira, K. D.. Universidade Federal de Goiás; Brasil
Fil: Carvalho, J. F.. 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
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:11336/20791
Acceder
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repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Growth, EPR and Optical Absorption Spectra of L-Threonine Single Crystals Doped with Cu2+ IonsSantana, R. C.Cunha, R. O.Santos, M. G.Ferreira, K. D.Carvalho, J. F.Calvo, Rafaelhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1We investigated the crystal growth, electron paramagnetic resonance (EPR) and optical absorption spectra of L-threonine doped with Cu2+. The quality, size and habit of the single crystals grown from aqueous solution by the slow solvent evaporation and by the cooling method vary when the impurities are introduced during the growth process. The angular variations of the EPR spectra of single crystal samples at room temperature and 9.77 GHz with the magnetic field orientation in three crystal planes (ab, bc and ac) show the presence of copper impurities in four symmetry related interstitial sites of the unit cell. These spectra display well resolved hyperfine couplings of the S = ½ of Cu2+ with the ICu=3/2 of the copper nuclei. Additional hyperfine splittings, well resolved only for specific orientations of the magnetic field, indicate that the copper ions have two N ligands with approximately equal hyperfine couplings. The principal values of the g and ACu tensors calculated from the EPR data are g1= 2.051(1), g2 = 2.062(2), g3 = 2.260(2), A1= 16.9(5)10-4 cm-1, A2= 21.8(6)10-4 cm-1, A3= 180.0(5)10-4 cm-1. The principal directions corresponding to g3 and to A3 are coincident within the experimental error and reflect the orientation of the bonding planes of the copper ions in the crystal. The values of the crystal field parameters are evaluated from the optical absorption spectrum and the bonding parameters of the Cu impurities in the crystal are calculated and analyzed. The EPR and optical absorption results are discussed in terms of the crystal structure of L-threonine and the electronic structure of the Cu2+ ions, and compared with data reported for other systems. The effect of the impurities in the growth and habit of the crystals is discussed.Fil: Santana, R. C.. Universidade Federal de Goiás; BrasilFil: Cunha, R. O.. Universidade Federal de Goiás; BrasilFil: Santos, M. G.. Universidade Federal de Goiás; BrasilFil: Ferreira, K. D.. Universidade Federal de Goiás; BrasilFil: Carvalho, J. F.. 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; ArgentinaPergamon-Elsevier Science Ltd2007-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/20791Santana, R. C.; Cunha, R. O.; Santos, M. G.; Ferreira, K. D.; Carvalho, J. F.; et al.; Growth, EPR and Optical Absorption Spectra of L-Threonine Single Crystals Doped with Cu2+ Ions; Pergamon-Elsevier Science Ltd; Journal of Physics and Chemistry of Solids; 68; 4; 12-2007; 586-5930022-3697CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.jpcs.2007.01.043info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0022369707000480?via%3Dihubinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T14:28:59Zoai:ri.conicet.gov.ar:11336/20791instacron: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:34982025-10-15 14:28:59.824CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Growth, EPR and Optical Absorption Spectra of L-Threonine Single Crystals Doped with Cu2+ Ions
title Growth, EPR and Optical Absorption Spectra of L-Threonine Single Crystals Doped with Cu2+ Ions
spellingShingle Growth, EPR and Optical Absorption Spectra of L-Threonine Single Crystals Doped with Cu2+ Ions
Santana, R. C.
title_short Growth, EPR and Optical Absorption Spectra of L-Threonine Single Crystals Doped with Cu2+ Ions
title_full Growth, EPR and Optical Absorption Spectra of L-Threonine Single Crystals Doped with Cu2+ Ions
title_fullStr Growth, EPR and Optical Absorption Spectra of L-Threonine Single Crystals Doped with Cu2+ Ions
title_full_unstemmed Growth, EPR and Optical Absorption Spectra of L-Threonine Single Crystals Doped with Cu2+ Ions
title_sort Growth, EPR and Optical Absorption Spectra of L-Threonine Single Crystals Doped with Cu2+ Ions
dc.creator.none.fl_str_mv Santana, R. C.
Cunha, R. O.
Santos, M. G.
Ferreira, K. D.
Carvalho, J. F.
Calvo, Rafael
author Santana, R. C.
author_facet Santana, R. C.
Cunha, R. O.
Santos, M. G.
Ferreira, K. D.
Carvalho, J. F.
Calvo, Rafael
author_role author
author2 Cunha, R. O.
Santos, M. G.
Ferreira, K. D.
Carvalho, J. F.
Calvo, Rafael
author2_role author
author
author
author
author
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv We investigated the crystal growth, electron paramagnetic resonance (EPR) and optical absorption spectra of L-threonine doped with Cu2+. The quality, size and habit of the single crystals grown from aqueous solution by the slow solvent evaporation and by the cooling method vary when the impurities are introduced during the growth process. The angular variations of the EPR spectra of single crystal samples at room temperature and 9.77 GHz with the magnetic field orientation in three crystal planes (ab, bc and ac) show the presence of copper impurities in four symmetry related interstitial sites of the unit cell. These spectra display well resolved hyperfine couplings of the S = ½ of Cu2+ with the ICu=3/2 of the copper nuclei. Additional hyperfine splittings, well resolved only for specific orientations of the magnetic field, indicate that the copper ions have two N ligands with approximately equal hyperfine couplings. The principal values of the g and ACu tensors calculated from the EPR data are g1= 2.051(1), g2 = 2.062(2), g3 = 2.260(2), A1= 16.9(5)10-4 cm-1, A2= 21.8(6)10-4 cm-1, A3= 180.0(5)10-4 cm-1. The principal directions corresponding to g3 and to A3 are coincident within the experimental error and reflect the orientation of the bonding planes of the copper ions in the crystal. The values of the crystal field parameters are evaluated from the optical absorption spectrum and the bonding parameters of the Cu impurities in the crystal are calculated and analyzed. The EPR and optical absorption results are discussed in terms of the crystal structure of L-threonine and the electronic structure of the Cu2+ ions, and compared with data reported for other systems. The effect of the impurities in the growth and habit of the crystals is discussed.
Fil: Santana, R. C.. Universidade Federal de Goiás; Brasil
Fil: Cunha, R. O.. Universidade Federal de Goiás; Brasil
Fil: Santos, M. G.. Universidade Federal de Goiás; Brasil
Fil: Ferreira, K. D.. Universidade Federal de Goiás; Brasil
Fil: Carvalho, J. F.. 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
description We investigated the crystal growth, electron paramagnetic resonance (EPR) and optical absorption spectra of L-threonine doped with Cu2+. The quality, size and habit of the single crystals grown from aqueous solution by the slow solvent evaporation and by the cooling method vary when the impurities are introduced during the growth process. The angular variations of the EPR spectra of single crystal samples at room temperature and 9.77 GHz with the magnetic field orientation in three crystal planes (ab, bc and ac) show the presence of copper impurities in four symmetry related interstitial sites of the unit cell. These spectra display well resolved hyperfine couplings of the S = ½ of Cu2+ with the ICu=3/2 of the copper nuclei. Additional hyperfine splittings, well resolved only for specific orientations of the magnetic field, indicate that the copper ions have two N ligands with approximately equal hyperfine couplings. The principal values of the g and ACu tensors calculated from the EPR data are g1= 2.051(1), g2 = 2.062(2), g3 = 2.260(2), A1= 16.9(5)10-4 cm-1, A2= 21.8(6)10-4 cm-1, A3= 180.0(5)10-4 cm-1. The principal directions corresponding to g3 and to A3 are coincident within the experimental error and reflect the orientation of the bonding planes of the copper ions in the crystal. The values of the crystal field parameters are evaluated from the optical absorption spectrum and the bonding parameters of the Cu impurities in the crystal are calculated and analyzed. The EPR and optical absorption results are discussed in terms of the crystal structure of L-threonine and the electronic structure of the Cu2+ ions, and compared with data reported for other systems. The effect of the impurities in the growth and habit of the crystals is discussed.
publishDate 2007
dc.date.none.fl_str_mv 2007-12
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/11336/20791
Santana, R. C.; Cunha, R. O.; Santos, M. G.; Ferreira, K. D.; Carvalho, J. F.; et al.; Growth, EPR and Optical Absorption Spectra of L-Threonine Single Crystals Doped with Cu2+ Ions; Pergamon-Elsevier Science Ltd; Journal of Physics and Chemistry of Solids; 68; 4; 12-2007; 586-593
0022-3697
CONICET Digital
CONICET
url http://hdl.handle.net/11336/20791
identifier_str_mv Santana, R. C.; Cunha, R. O.; Santos, M. G.; Ferreira, K. D.; Carvalho, J. F.; et al.; Growth, EPR and Optical Absorption Spectra of L-Threonine Single Crystals Doped with Cu2+ Ions; Pergamon-Elsevier Science Ltd; Journal of Physics and Chemistry of Solids; 68; 4; 12-2007; 586-593
0022-3697
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.jpcs.2007.01.043
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0022369707000480?via%3Dihub
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 Pergamon-Elsevier Science Ltd
publisher.none.fl_str_mv Pergamon-Elsevier Science Ltd
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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