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
- Institución
- Universidad Nacional de La Plata
- OAI Identificador
- oai:sedici.unlp.edu.ar:10915/139042
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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 |
dc.relation.none.fl_str_mv |
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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) |
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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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