Crystal structure and EPR spectra of glycilglycilglycinocopper(II)bromide sesquihydrate

Autores
Castellano, Eduardo Ernesto; Piro, Oscar Enrique; Casado, Nieves M. C.; Brondino, Carlos D.; Calvo, Rafael
Año de publicación
1998
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The title compound, Cu(glyglygly)Br·1·5H2O, crystallizes in the space group C2/c, with a = 21.468(7), b = 6.716(5), c = 16.166(6) A, β = 98.39°, and Z = 8. The tripeptide is bonded to one Cu(II) ion through the nitrogen [Cu–N=1.97(1)A] and oxygen [Cu–O=2.019(8)A] atoms of the amino end glycine residue and to another Cu(II) through one oxygen atom [Cu–O=1.931(9)A] of the terminal carboxyl group. This give rise to covalently bonded and infinite ···–Cu–tripeptide–Cu–··· chains. These chains are linked to one another by a network of H-bonds involving the water molecules and bromide ions. The Cu(II) ion is in a distorted tetragonal pyramidal coordination polyhedron. At the corner of the base of the pyramid are the terminal glycine nitrogen and oxygen atoms of one tripeptide, a carboxylic oxygen of another tripeptide and a bromide ion. The fivefold coordination is completed with a water molecule at the top of the pyramid [Cu–Ow=2.286(9)A]. For all orientations of the applied magnetic field the single crystal EPR spectra display a single anisotropic exchange collapsed resonance without hyperfine structure. Its position was measured in three perpendicular planes and the crystal g-tensor evaluated from the data. This tensor is interpreted in terms of the contributing Cu(II) complexes in the unit cell to deduce the principal values g1 = 2.273, g2 = 2.050 and g3 = 2.131 for the molecular gyromagnetic tensor. We also discuss the magnitude of the exchange interaction between neighboring copper ions in the lattice on the basis of the features in the EPR spectra and the structural information.
Facultad de Ciencias Exactas
Materia
Ciencias Exactas
Química
Cu(II) complex
crystal structure
EPR spectra
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by/4.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/139787

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repository_id_str 1329
network_name_str SEDICI (UNLP)
spelling Crystal structure and EPR spectra of glycilglycilglycinocopper(II)bromide sesquihydrateCastellano, Eduardo ErnestoPiro, Oscar EnriqueCasado, Nieves M. C.Brondino, Carlos D.Calvo, RafaelCiencias ExactasQuímicaCu(II) complexcrystal structureEPR spectraThe title compound, Cu(glyglygly)Br·1·5H2O, crystallizes in the space group C2/c, with a = 21.468(7), b = 6.716(5), c = 16.166(6) A, β = 98.39°, and Z = 8. The tripeptide is bonded to one Cu(II) ion through the nitrogen [Cu–N=1.97(1)A] and oxygen [Cu–O=2.019(8)A] atoms of the amino end glycine residue and to another Cu(II) through one oxygen atom [Cu–O=1.931(9)A] of the terminal carboxyl group. This give rise to covalently bonded and infinite ···–Cu–tripeptide–Cu–··· chains. These chains are linked to one another by a network of H-bonds involving the water molecules and bromide ions. The Cu(II) ion is in a distorted tetragonal pyramidal coordination polyhedron. At the corner of the base of the pyramid are the terminal glycine nitrogen and oxygen atoms of one tripeptide, a carboxylic oxygen of another tripeptide and a bromide ion. The fivefold coordination is completed with a water molecule at the top of the pyramid [Cu–Ow=2.286(9)A]. For all orientations of the applied magnetic field the single crystal EPR spectra display a single anisotropic exchange collapsed resonance without hyperfine structure. Its position was measured in three perpendicular planes and the crystal g-tensor evaluated from the data. This tensor is interpreted in terms of the contributing Cu(II) complexes in the unit cell to deduce the principal values g1 = 2.273, g2 = 2.050 and g3 = 2.131 for the molecular gyromagnetic tensor. We also discuss the magnitude of the exchange interaction between neighboring copper ions in the lattice on the basis of the features in the EPR spectra and the structural information.Facultad de Ciencias Exactas1998info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf61-68http://sedici.unlp.edu.ar/handle/10915/139787enginfo: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/10.1023/a:1021734820606info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/4.0/Creative Commons Attribution 4.0 International (CC BY 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-03T11:04:08Zoai:sedici.unlp.edu.ar:10915/139787Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-03 11:04:08.691SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv Crystal structure and EPR spectra of glycilglycilglycinocopper(II)bromide sesquihydrate
title Crystal structure and EPR spectra of glycilglycilglycinocopper(II)bromide sesquihydrate
spellingShingle Crystal structure and EPR spectra of glycilglycilglycinocopper(II)bromide sesquihydrate
Castellano, Eduardo Ernesto
Ciencias Exactas
Química
Cu(II) complex
crystal structure
EPR spectra
title_short Crystal structure and EPR spectra of glycilglycilglycinocopper(II)bromide sesquihydrate
title_full Crystal structure and EPR spectra of glycilglycilglycinocopper(II)bromide sesquihydrate
title_fullStr Crystal structure and EPR spectra of glycilglycilglycinocopper(II)bromide sesquihydrate
title_full_unstemmed Crystal structure and EPR spectra of glycilglycilglycinocopper(II)bromide sesquihydrate
title_sort Crystal structure and EPR spectra of glycilglycilglycinocopper(II)bromide sesquihydrate
dc.creator.none.fl_str_mv Castellano, Eduardo Ernesto
Piro, Oscar Enrique
Casado, Nieves M. C.
Brondino, Carlos D.
Calvo, Rafael
author Castellano, Eduardo Ernesto
author_facet Castellano, Eduardo Ernesto
Piro, Oscar Enrique
Casado, Nieves M. C.
Brondino, Carlos D.
Calvo, Rafael
author_role author
author2 Piro, Oscar Enrique
Casado, Nieves M. C.
Brondino, Carlos D.
Calvo, Rafael
author2_role author
author
author
author
dc.subject.none.fl_str_mv Ciencias Exactas
Química
Cu(II) complex
crystal structure
EPR spectra
topic Ciencias Exactas
Química
Cu(II) complex
crystal structure
EPR spectra
dc.description.none.fl_txt_mv The title compound, Cu(glyglygly)Br·1·5H2O, crystallizes in the space group C2/c, with a = 21.468(7), b = 6.716(5), c = 16.166(6) A, β = 98.39°, and Z = 8. The tripeptide is bonded to one Cu(II) ion through the nitrogen [Cu–N=1.97(1)A] and oxygen [Cu–O=2.019(8)A] atoms of the amino end glycine residue and to another Cu(II) through one oxygen atom [Cu–O=1.931(9)A] of the terminal carboxyl group. This give rise to covalently bonded and infinite ···–Cu–tripeptide–Cu–··· chains. These chains are linked to one another by a network of H-bonds involving the water molecules and bromide ions. The Cu(II) ion is in a distorted tetragonal pyramidal coordination polyhedron. At the corner of the base of the pyramid are the terminal glycine nitrogen and oxygen atoms of one tripeptide, a carboxylic oxygen of another tripeptide and a bromide ion. The fivefold coordination is completed with a water molecule at the top of the pyramid [Cu–Ow=2.286(9)A]. For all orientations of the applied magnetic field the single crystal EPR spectra display a single anisotropic exchange collapsed resonance without hyperfine structure. Its position was measured in three perpendicular planes and the crystal g-tensor evaluated from the data. This tensor is interpreted in terms of the contributing Cu(II) complexes in the unit cell to deduce the principal values g1 = 2.273, g2 = 2.050 and g3 = 2.131 for the molecular gyromagnetic tensor. We also discuss the magnitude of the exchange interaction between neighboring copper ions in the lattice on the basis of the features in the EPR spectra and the structural information.
Facultad de Ciencias Exactas
description The title compound, Cu(glyglygly)Br·1·5H2O, crystallizes in the space group C2/c, with a = 21.468(7), b = 6.716(5), c = 16.166(6) A, β = 98.39°, and Z = 8. The tripeptide is bonded to one Cu(II) ion through the nitrogen [Cu–N=1.97(1)A] and oxygen [Cu–O=2.019(8)A] atoms of the amino end glycine residue and to another Cu(II) through one oxygen atom [Cu–O=1.931(9)A] of the terminal carboxyl group. This give rise to covalently bonded and infinite ···–Cu–tripeptide–Cu–··· chains. These chains are linked to one another by a network of H-bonds involving the water molecules and bromide ions. The Cu(II) ion is in a distorted tetragonal pyramidal coordination polyhedron. At the corner of the base of the pyramid are the terminal glycine nitrogen and oxygen atoms of one tripeptide, a carboxylic oxygen of another tripeptide and a bromide ion. The fivefold coordination is completed with a water molecule at the top of the pyramid [Cu–Ow=2.286(9)A]. For all orientations of the applied magnetic field the single crystal EPR spectra display a single anisotropic exchange collapsed resonance without hyperfine structure. Its position was measured in three perpendicular planes and the crystal g-tensor evaluated from the data. This tensor is interpreted in terms of the contributing Cu(II) complexes in the unit cell to deduce the principal values g1 = 2.273, g2 = 2.050 and g3 = 2.131 for the molecular gyromagnetic tensor. We also discuss the magnitude of the exchange interaction between neighboring copper ions in the lattice on the basis of the features in the EPR spectra and the structural information.
publishDate 1998
dc.date.none.fl_str_mv 1998
dc.type.none.fl_str_mv info:eu-repo/semantics/article
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Articulo
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info:eu-repo/semantics/altIdentifier/issn/0277-8068
info:eu-repo/semantics/altIdentifier/doi/10.1023/a:1021734820606
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