Crystal structure and EPR spectrum of dimeric di-μ-azide-bis[cyanide(N,N-diethylethylenediamine)]-copper(II), [Cu(N₃)(NCO)(diEten)]₂

Autores
Piro, Oscar Enrique; Castellano, Eduardo Ernesto; Zukerman Schpector, Julio; De Simone, C. A.; Martino, D. M.; Steren, C. A.
Año de publicación
1997
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The title compound, [Cu(N₃)(NCO)(C₆H₁₆N₂)]₂, crystallizes in the space groupP2₁/n, witha=8.336(1),b=17.405(3),c=8.376(1) Å, β=109.73(2)o andZ=4. The molecules are arranged as centrosymmetric dimers in which two azide ligands bridge neighboring copper ions in an asymmetric head-on fashion. The Cu(II) ion is coordinated to five nitrogen atoms which form a distorted tetragonal pyramid. At the pyramid base are the two N atoms of a diEten molecule [Cu−N=2.00(1), 2.130(9) Å], an azide end atom [Cu−N=1.99(1) Å] and a NCO group [Cu−N=1.93(1) Å]. At the pyramid apex is the other, inversion related, azide N atom in the dimer [Cu−N=2.38(1) Å]. This Cu−N contact links the monomers within a dimer. Neighboring dimers are coupled by weak N−H…O contacts. Single crystal EPR data at X-band show that the pair of resonances expected for neighboring, magnetically nonequivalents dimers, collapse into a single line, a signature of inter-dimers superexchange coupling. The observed crystal gyromagnetic tensor is used to disclose the electronic and magnetic structure around Cu(II) ions.
Facultad de Ciencias Exactas
Materia
Física
Química
Crystal structure
copper(II) dimer
EPR spectrum
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by-nc-sa/4.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/139042

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spelling Crystal structure and EPR spectrum of dimeric di-μ-azide-bis[cyanide(N,N-diethylethylenediamine)]-copper(II), [Cu(N₃)(NCO)(diEten)]₂Piro, Oscar EnriqueCastellano, Eduardo ErnestoZukerman Schpector, JulioDe Simone, C. A.Martino, D. M.Steren, C. A.FísicaQuímicaCrystal structurecopper(II) dimerEPR spectrumThe title compound, [Cu(N₃)(NCO)(C₆H₁₆N₂)]₂, crystallizes in the space groupP2₁/n, witha=8.336(1),b=17.405(3),c=8.376(1) Å, β=109.73(2)o andZ=4. The molecules are arranged as centrosymmetric dimers in which two azide ligands bridge neighboring copper ions in an asymmetric head-on fashion. The Cu(II) ion is coordinated to five nitrogen atoms which form a distorted tetragonal pyramid. At the pyramid base are the two N atoms of a diEten molecule [Cu−N=2.00(1), 2.130(9) Å], an azide end atom [Cu−N=1.99(1) Å] and a NCO group [Cu−N=1.93(1) Å]. At the pyramid apex is the other, inversion related, azide N atom in the dimer [Cu−N=2.38(1) Å]. This Cu−N contact links the monomers within a dimer. Neighboring dimers are coupled by weak N−H…O contacts. Single crystal EPR data at X-band show that the pair of resonances expected for neighboring, magnetically nonequivalents dimers, collapse into a single line, a signature of inter-dimers superexchange coupling. The observed crystal gyromagnetic tensor is used to disclose the electronic and magnetic structure around Cu(II) ions.Facultad de Ciencias Exactas1997info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf129-135http://sedici.unlp.edu.ar/handle/10915/139042enginfo:eu-repo/semantics/altIdentifier/issn/1074-1542info:eu-repo/semantics/altIdentifier/issn/1572-8854info:eu-repo/semantics/altIdentifier/issn/0308-4086info:eu-repo/semantics/altIdentifier/issn/0277-8068info:eu-repo/semantics/altIdentifier/doi/10.1007/bf02575906info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-sa/4.0/Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-03T11:03:58Zoai:sedici.unlp.edu.ar:10915/139042Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-03 11:03:58.555SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv Crystal structure and EPR spectrum of dimeric di-μ-azide-bis[cyanide(N,N-diethylethylenediamine)]-copper(II), [Cu(N₃)(NCO)(diEten)]₂
title Crystal structure and EPR spectrum of dimeric di-μ-azide-bis[cyanide(N,N-diethylethylenediamine)]-copper(II), [Cu(N₃)(NCO)(diEten)]₂
spellingShingle Crystal structure and EPR spectrum of dimeric di-μ-azide-bis[cyanide(N,N-diethylethylenediamine)]-copper(II), [Cu(N₃)(NCO)(diEten)]₂
Piro, Oscar Enrique
Física
Química
Crystal structure
copper(II) dimer
EPR spectrum
title_short Crystal structure and EPR spectrum of dimeric di-μ-azide-bis[cyanide(N,N-diethylethylenediamine)]-copper(II), [Cu(N₃)(NCO)(diEten)]₂
title_full Crystal structure and EPR spectrum of dimeric di-μ-azide-bis[cyanide(N,N-diethylethylenediamine)]-copper(II), [Cu(N₃)(NCO)(diEten)]₂
title_fullStr Crystal structure and EPR spectrum of dimeric di-μ-azide-bis[cyanide(N,N-diethylethylenediamine)]-copper(II), [Cu(N₃)(NCO)(diEten)]₂
title_full_unstemmed Crystal structure and EPR spectrum of dimeric di-μ-azide-bis[cyanide(N,N-diethylethylenediamine)]-copper(II), [Cu(N₃)(NCO)(diEten)]₂
title_sort Crystal structure and EPR spectrum of dimeric di-μ-azide-bis[cyanide(N,N-diethylethylenediamine)]-copper(II), [Cu(N₃)(NCO)(diEten)]₂
dc.creator.none.fl_str_mv Piro, Oscar Enrique
Castellano, Eduardo Ernesto
Zukerman Schpector, Julio
De Simone, C. A.
Martino, D. M.
Steren, C. A.
author Piro, Oscar Enrique
author_facet Piro, Oscar Enrique
Castellano, Eduardo Ernesto
Zukerman Schpector, Julio
De Simone, C. A.
Martino, D. M.
Steren, C. A.
author_role author
author2 Castellano, Eduardo Ernesto
Zukerman Schpector, Julio
De Simone, C. A.
Martino, D. M.
Steren, C. A.
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv Física
Química
Crystal structure
copper(II) dimer
EPR spectrum
topic Física
Química
Crystal structure
copper(II) dimer
EPR spectrum
dc.description.none.fl_txt_mv The title compound, [Cu(N₃)(NCO)(C₆H₁₆N₂)]₂, crystallizes in the space groupP2₁/n, witha=8.336(1),b=17.405(3),c=8.376(1) Å, β=109.73(2)o andZ=4. The molecules are arranged as centrosymmetric dimers in which two azide ligands bridge neighboring copper ions in an asymmetric head-on fashion. The Cu(II) ion is coordinated to five nitrogen atoms which form a distorted tetragonal pyramid. At the pyramid base are the two N atoms of a diEten molecule [Cu−N=2.00(1), 2.130(9) Å], an azide end atom [Cu−N=1.99(1) Å] and a NCO group [Cu−N=1.93(1) Å]. At the pyramid apex is the other, inversion related, azide N atom in the dimer [Cu−N=2.38(1) Å]. This Cu−N contact links the monomers within a dimer. Neighboring dimers are coupled by weak N−H…O contacts. Single crystal EPR data at X-band show that the pair of resonances expected for neighboring, magnetically nonequivalents dimers, collapse into a single line, a signature of inter-dimers superexchange coupling. The observed crystal gyromagnetic tensor is used to disclose the electronic and magnetic structure around Cu(II) ions.
Facultad de Ciencias Exactas
description The title compound, [Cu(N₃)(NCO)(C₆H₁₆N₂)]₂, crystallizes in the space groupP2₁/n, witha=8.336(1),b=17.405(3),c=8.376(1) Å, β=109.73(2)o andZ=4. The molecules are arranged as centrosymmetric dimers in which two azide ligands bridge neighboring copper ions in an asymmetric head-on fashion. The Cu(II) ion is coordinated to five nitrogen atoms which form a distorted tetragonal pyramid. At the pyramid base are the two N atoms of a diEten molecule [Cu−N=2.00(1), 2.130(9) Å], an azide end atom [Cu−N=1.99(1) Å] and a NCO group [Cu−N=1.93(1) Å]. At the pyramid apex is the other, inversion related, azide N atom in the dimer [Cu−N=2.38(1) Å]. This Cu−N contact links the monomers within a dimer. Neighboring dimers are coupled by weak N−H…O contacts. Single crystal EPR data at X-band show that the pair of resonances expected for neighboring, magnetically nonequivalents dimers, collapse into a single line, a signature of inter-dimers superexchange coupling. The observed crystal gyromagnetic tensor is used to disclose the electronic and magnetic structure around Cu(II) ions.
publishDate 1997
dc.date.none.fl_str_mv 1997
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Articulo
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://sedici.unlp.edu.ar/handle/10915/139042
url http://sedici.unlp.edu.ar/handle/10915/139042
dc.language.none.fl_str_mv eng
language eng
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info:eu-repo/semantics/altIdentifier/issn/1572-8854
info:eu-repo/semantics/altIdentifier/issn/0308-4086
info:eu-repo/semantics/altIdentifier/issn/0277-8068
info:eu-repo/semantics/altIdentifier/doi/10.1007/bf02575906
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by-nc-sa/4.0/
Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by-nc-sa/4.0/
Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
dc.format.none.fl_str_mv application/pdf
129-135
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instname:Universidad Nacional de La Plata
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reponame_str SEDICI (UNLP)
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