The structure , magnetism and EPR spectra of a (μ-thiophenolato)(μ-pyrazolato-N,N') double bridged dicopper(II) complex

Autores
Khadir, Narjes; Boghaei, Davar M.; Assoud, Abdeljalil; Nascimento, Otaciro R.; Nicotina, Amanda; Ghivelder, Luis; Calvo, Rafael
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
A new binuclear copper(II) complex, namely [Cu2L(pz)(DMSO)], where L = 2,6-bis[(2-phenoxy)iminomethyl]-4-methylthiophenolate(3-) and pz = pyrazolate ligand, has been synthesized by a one-pot synthesis involving copper(II) acetate monohydrate, the S-protected ligand precursor 2-(N,Ndimethylthiocarbamato)-5-methylisophthalaldehyde di-2?-hydroxy anil, (I), and pyrazole, in which a metal-promoted S-deprotection reaction occurs during the formation of the complex. This was characterized by routine physicochemical studies, single crystal X-ray diffraction and electron paramagnetic
resonance (EPR) techniques. The structure analysis reveals that there are copper centres in two different environments, a slightly distorted square planar and a distorted square-pyramidal, arranged in binuclear units. The EPR study of these binuclear units performed at 9.4 GHz in the temperature range between 4 and 293 K shows an antiferromagnetic interaction between CuII ions, and allows evaluating g factors gx = 2.068(1), gy = 2.091(1) and gz = 2.165(1), with = 2.108(1), an exchange coupling parameter J0 = -26(1) cm−1 (defined as Hex = - J0 S1 S2), and a zero field splitting of the ground triplet state described by D = 86(2) × 10-4 cm-1 and E = -48(3) × 10-4 cm-1. These results are discussed and compared with the existing literature.
Fil: Khadir, Narjes. Sharif University of Technology. Department of Chemistry; Irán
Fil: Boghaei, Davar M.. Sharif University of Technology. Department of Chemistry; Irán
Fil: Assoud, Abdeljalil. University of Waterloo. Department of Chemistry; Canadá
Fil: Nascimento, Otaciro R.. Universidade de São Paulo. Instituto de Física de São Carlos. Departamento de Física e Ciência Interdisciplinar. Grupo de Biofísica Molecular Sergio Mascarenhas; Brasil
Fil: Nicotina, Amanda. Universidade Federal do Rio de Janeiro. Instituto de Física; Brasil
Fil: Ghivelder, Luis. Universidade Federal do Rio de Janeiro. Instituto de Física; Brasil
Fil: Calvo, Rafael. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Santa Fe. Instituto de Física del Litoral; Argentina
Materia
Dinuclear Copper
Tiofenolato
Pirazolato
Magnetismo
Estructura
Rpe
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:11336/4431
Acceder
id CONICETDig_6ecf333a033656737cd4ec94f1c48244
oai_identifier_str oai:ri.conicet.gov.ar:11336/4431
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling The structure , magnetism and EPR spectra of a (μ-thiophenolato)(μ-pyrazolato-N,N') double bridged dicopper(II) complexKhadir, NarjesBoghaei, Davar M.Assoud, AbdeljalilNascimento, Otaciro R.Nicotina, AmandaGhivelder, LuisCalvo, RafaelDinuclear CopperTiofenolatoPirazolatoMagnetismoEstructuraRpehttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1A new binuclear copper(II) complex, namely [Cu2L(pz)(DMSO)], where L = 2,6-bis[(2-phenoxy)iminomethyl]-4-methylthiophenolate(3-) and pz = pyrazolate ligand, has been synthesized by a one-pot synthesis involving copper(II) acetate monohydrate, the S-protected ligand precursor 2-(N,Ndimethylthiocarbamato)-5-methylisophthalaldehyde di-2?-hydroxy anil, (I), and pyrazole, in which a metal-promoted S-deprotection reaction occurs during the formation of the complex. This was characterized by routine physicochemical studies, single crystal X-ray diffraction and electron paramagnetic<br />resonance (EPR) techniques. The structure analysis reveals that there are copper centres in two different environments, a slightly distorted square planar and a distorted square-pyramidal, arranged in binuclear units. The EPR study of these binuclear units performed at 9.4 GHz in the temperature range between 4 and 293 K shows an antiferromagnetic interaction between CuII ions, and allows evaluating g factors gx = 2.068(1), gy = 2.091(1) and gz = 2.165(1), with <g> = 2.108(1), an exchange coupling parameter J0 = -26(1) cm−1 (defined as Hex = - J0 S1 S2), and a zero field splitting of the ground triplet state described by D = 86(2) × 10-4 cm-1 and E = -48(3) × 10-4 cm-1. These results are discussed and compared with the existing literature.Fil: Khadir, Narjes. Sharif University of Technology. Department of Chemistry; IránFil: Boghaei, Davar M.. Sharif University of Technology. Department of Chemistry; IránFil: Assoud, Abdeljalil. University of Waterloo. Department of Chemistry; CanadáFil: Nascimento, Otaciro R.. Universidade de São Paulo. Instituto de Física de São Carlos. Departamento de Física e Ciência Interdisciplinar. Grupo de Biofísica Molecular Sergio Mascarenhas; BrasilFil: Nicotina, Amanda. Universidade Federal do Rio de Janeiro. Instituto de Física; BrasilFil: Ghivelder, Luis. Universidade Federal do Rio de Janeiro. Instituto de Física; BrasilFil: Calvo, Rafael. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Santa Fe. Instituto de Física del Litoral; ArgentinaRoyal Society of Chemistry2014-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/4431Khadir, Narjes; Boghaei, Davar M.; Assoud, Abdeljalil; Nascimento, Otaciro R.; Nicotina, Amanda; et al.; The structure , magnetism and EPR spectra of a (μ-thiophenolato)(μ-pyrazolato-N,N') double bridged dicopper(II) complex; Royal Society of Chemistry; Dalton Transactions; 44; 5; 12-2014; 2431-24381477-9226enginfo:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/content/articlelanding/2014/dt/c4dt03322ainfo:eu-repo/semantics/altIdentifier/doi/DOI:10.1039/C4DT03322Ainfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:01:07Zoai:ri.conicet.gov.ar:11336/4431instacron: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:34982025-10-22 11:01:07.286CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv The structure , magnetism and EPR spectra of a (μ-thiophenolato)(μ-pyrazolato-N,N') double bridged dicopper(II) complex
title The structure , magnetism and EPR spectra of a (μ-thiophenolato)(μ-pyrazolato-N,N') double bridged dicopper(II) complex
spellingShingle The structure , magnetism and EPR spectra of a (μ-thiophenolato)(μ-pyrazolato-N,N') double bridged dicopper(II) complex
Khadir, Narjes
Dinuclear Copper
Tiofenolato
Pirazolato
Magnetismo
Estructura
Rpe
title_short The structure , magnetism and EPR spectra of a (μ-thiophenolato)(μ-pyrazolato-N,N') double bridged dicopper(II) complex
title_full The structure , magnetism and EPR spectra of a (μ-thiophenolato)(μ-pyrazolato-N,N') double bridged dicopper(II) complex
title_fullStr The structure , magnetism and EPR spectra of a (μ-thiophenolato)(μ-pyrazolato-N,N') double bridged dicopper(II) complex
title_full_unstemmed The structure , magnetism and EPR spectra of a (μ-thiophenolato)(μ-pyrazolato-N,N') double bridged dicopper(II) complex
title_sort The structure , magnetism and EPR spectra of a (μ-thiophenolato)(μ-pyrazolato-N,N') double bridged dicopper(II) complex
dc.creator.none.fl_str_mv Khadir, Narjes
Boghaei, Davar M.
Assoud, Abdeljalil
Nascimento, Otaciro R.
Nicotina, Amanda
Ghivelder, Luis
Calvo, Rafael
author Khadir, Narjes
author_facet Khadir, Narjes
Boghaei, Davar M.
Assoud, Abdeljalil
Nascimento, Otaciro R.
Nicotina, Amanda
Ghivelder, Luis
Calvo, Rafael
author_role author
author2 Boghaei, Davar M.
Assoud, Abdeljalil
Nascimento, Otaciro R.
Nicotina, Amanda
Ghivelder, Luis
Calvo, Rafael
author2_role author
author
author
author
author
author
dc.subject.none.fl_str_mv Dinuclear Copper
Tiofenolato
Pirazolato
Magnetismo
Estructura
Rpe
topic Dinuclear Copper
Tiofenolato
Pirazolato
Magnetismo
Estructura
Rpe
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv A new binuclear copper(II) complex, namely [Cu2L(pz)(DMSO)], where L = 2,6-bis[(2-phenoxy)iminomethyl]-4-methylthiophenolate(3-) and pz = pyrazolate ligand, has been synthesized by a one-pot synthesis involving copper(II) acetate monohydrate, the S-protected ligand precursor 2-(N,Ndimethylthiocarbamato)-5-methylisophthalaldehyde di-2?-hydroxy anil, (I), and pyrazole, in which a metal-promoted S-deprotection reaction occurs during the formation of the complex. This was characterized by routine physicochemical studies, single crystal X-ray diffraction and electron paramagnetic<br />resonance (EPR) techniques. The structure analysis reveals that there are copper centres in two different environments, a slightly distorted square planar and a distorted square-pyramidal, arranged in binuclear units. The EPR study of these binuclear units performed at 9.4 GHz in the temperature range between 4 and 293 K shows an antiferromagnetic interaction between CuII ions, and allows evaluating g factors gx = 2.068(1), gy = 2.091(1) and gz = 2.165(1), with <g> = 2.108(1), an exchange coupling parameter J0 = -26(1) cm−1 (defined as Hex = - J0 S1 S2), and a zero field splitting of the ground triplet state described by D = 86(2) × 10-4 cm-1 and E = -48(3) × 10-4 cm-1. These results are discussed and compared with the existing literature.
Fil: Khadir, Narjes. Sharif University of Technology. Department of Chemistry; Irán
Fil: Boghaei, Davar M.. Sharif University of Technology. Department of Chemistry; Irán
Fil: Assoud, Abdeljalil. University of Waterloo. Department of Chemistry; Canadá
Fil: Nascimento, Otaciro R.. Universidade de São Paulo. Instituto de Física de São Carlos. Departamento de Física e Ciência Interdisciplinar. Grupo de Biofísica Molecular Sergio Mascarenhas; Brasil
Fil: Nicotina, Amanda. Universidade Federal do Rio de Janeiro. Instituto de Física; Brasil
Fil: Ghivelder, Luis. Universidade Federal do Rio de Janeiro. Instituto de Física; Brasil
Fil: Calvo, Rafael. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Santa Fe. Instituto de Física del Litoral; Argentina
description A new binuclear copper(II) complex, namely [Cu2L(pz)(DMSO)], where L = 2,6-bis[(2-phenoxy)iminomethyl]-4-methylthiophenolate(3-) and pz = pyrazolate ligand, has been synthesized by a one-pot synthesis involving copper(II) acetate monohydrate, the S-protected ligand precursor 2-(N,Ndimethylthiocarbamato)-5-methylisophthalaldehyde di-2?-hydroxy anil, (I), and pyrazole, in which a metal-promoted S-deprotection reaction occurs during the formation of the complex. This was characterized by routine physicochemical studies, single crystal X-ray diffraction and electron paramagnetic<br />resonance (EPR) techniques. The structure analysis reveals that there are copper centres in two different environments, a slightly distorted square planar and a distorted square-pyramidal, arranged in binuclear units. The EPR study of these binuclear units performed at 9.4 GHz in the temperature range between 4 and 293 K shows an antiferromagnetic interaction between CuII ions, and allows evaluating g factors gx = 2.068(1), gy = 2.091(1) and gz = 2.165(1), with <g> = 2.108(1), an exchange coupling parameter J0 = -26(1) cm−1 (defined as Hex = - J0 S1 S2), and a zero field splitting of the ground triplet state described by D = 86(2) × 10-4 cm-1 and E = -48(3) × 10-4 cm-1. These results are discussed and compared with the existing literature.
publishDate 2014
dc.date.none.fl_str_mv 2014-12
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/11336/4431
Khadir, Narjes; Boghaei, Davar M.; Assoud, Abdeljalil; Nascimento, Otaciro R.; Nicotina, Amanda; et al.; The structure , magnetism and EPR spectra of a (μ-thiophenolato)(μ-pyrazolato-N,N') double bridged dicopper(II) complex; Royal Society of Chemistry; Dalton Transactions; 44; 5; 12-2014; 2431-2438
1477-9226
url http://hdl.handle.net/11336/4431
identifier_str_mv Khadir, Narjes; Boghaei, Davar M.; Assoud, Abdeljalil; Nascimento, Otaciro R.; Nicotina, Amanda; et al.; The structure , magnetism and EPR spectra of a (μ-thiophenolato)(μ-pyrazolato-N,N') double bridged dicopper(II) complex; Royal Society of Chemistry; Dalton Transactions; 44; 5; 12-2014; 2431-2438
1477-9226
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/content/articlelanding/2014/dt/c4dt03322a
info:eu-repo/semantics/altIdentifier/doi/DOI:10.1039/C4DT03322A
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
application/pdf
dc.publisher.none.fl_str_mv Royal Society of Chemistry
publisher.none.fl_str_mv Royal Society of Chemistry
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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score 12.982451

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