Spectroscopic evidence in solid and solution of a discrete copper(I) tetrahedral complex dimer supported by supramolecular interactions

Autores
Jara, Danilo H.; Lemus, Luis; Farías, Liliana; Freire Espeleta, Eleonora; Baggio, Ricardo Fortunato; Guerrero, Juan
Año de publicación
2012
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The first study of the self-association of a copper(I) tetrahedral complex ([Cu(N-{4-nitrophenyl}pyridine-2-yl-methanimine)(PPh 3)Br]) has been performed. The formation of a discrete dimer supported by supramolecular π-π stacking and C-H·Br interactions was established by X-ray diffraction techniques. 1D- and 2D NMR techniques were used for the structural characterization of this compound in solution. Unexpected 1H- 1H NOE effects are coherent with the presence of a dimer in solution, whose structure replicates that found in the crystal. Dimerization constants obtained by VT- 1H NMR spectroscopy allowed the determination ofthe thermodynamic parameters for the self-association process, namely ΔS = -0.67±0.21 calmol -1K -1, ΔH = -2.00±0.05 kcalmol -1 and ΔG(298 K) = -1.79 kcalmol -1. Consequently, this association process is enthalpy driven.
Fil: Jara, Danilo H.. Universidad de Santiago de Chile; Chile
Fil: Lemus, Luis. Universidad de Santiago de Chile; Chile
Fil: Farías, Liliana. Universidad de Santiago de Chile; Chile
Fil: Freire Espeleta, Eleonora. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; Argentina. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina
Fil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica; Argentina
Fil: Guerrero, Juan. Universidad de Santiago de Chile; Chile
Materia
COPPER
NMR SPECTROSCOPY
PI INTERACTIONS
SELF-ASSEMBLY
SUPRAMOLECULAR CHEMISTRY
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:11336/189121
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/189121
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Spectroscopic evidence in solid and solution of a discrete copper(I) tetrahedral complex dimer supported by supramolecular interactionsJara, Danilo H.Lemus, LuisFarías, LilianaFreire Espeleta, EleonoraBaggio, Ricardo FortunatoGuerrero, JuanCOPPERNMR SPECTROSCOPYPI INTERACTIONSSELF-ASSEMBLYSUPRAMOLECULAR CHEMISTRYhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The first study of the self-association of a copper(I) tetrahedral complex ([Cu(N-{4-nitrophenyl}pyridine-2-yl-methanimine)(PPh 3)Br]) has been performed. The formation of a discrete dimer supported by supramolecular π-π stacking and C-H·Br interactions was established by X-ray diffraction techniques. 1D- and 2D NMR techniques were used for the structural characterization of this compound in solution. Unexpected 1H- 1H NOE effects are coherent with the presence of a dimer in solution, whose structure replicates that found in the crystal. Dimerization constants obtained by VT- 1H NMR spectroscopy allowed the determination ofthe thermodynamic parameters for the self-association process, namely ΔS = -0.67±0.21 calmol -1K -1, ΔH = -2.00±0.05 kcalmol -1 and ΔG(298 K) = -1.79 kcalmol -1. Consequently, this association process is enthalpy driven.Fil: Jara, Danilo H.. Universidad de Santiago de Chile; ChileFil: Lemus, Luis. Universidad de Santiago de Chile; ChileFil: Farías, Liliana. Universidad de Santiago de Chile; ChileFil: Freire Espeleta, Eleonora. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; Argentina. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; ArgentinaFil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica; ArgentinaFil: Guerrero, Juan. Universidad de Santiago de Chile; ChileWiley VCH Verlag2012-03info: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/11336/189121Jara, Danilo H.; Lemus, Luis; Farías, Liliana; Freire Espeleta, Eleonora; Baggio, Ricardo Fortunato; et al.; Spectroscopic evidence in solid and solution of a discrete copper(I) tetrahedral complex dimer supported by supramolecular interactions; Wiley VCH Verlag; European Journal of Inorganic Chemistry; 10; 3-2012; 1579-15831434-1948CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/ejic.201101356info:eu-repo/semantics/altIdentifier/doi/10.1002/ejic.201101356info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-11-05T10:47:33Zoai:ri.conicet.gov.ar:11336/189121instacron: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:34982025-11-05 10:47:33.701CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Spectroscopic evidence in solid and solution of a discrete copper(I) tetrahedral complex dimer supported by supramolecular interactions
title Spectroscopic evidence in solid and solution of a discrete copper(I) tetrahedral complex dimer supported by supramolecular interactions
spellingShingle Spectroscopic evidence in solid and solution of a discrete copper(I) tetrahedral complex dimer supported by supramolecular interactions
Jara, Danilo H.
COPPER
NMR SPECTROSCOPY
PI INTERACTIONS
SELF-ASSEMBLY
SUPRAMOLECULAR CHEMISTRY
title_short Spectroscopic evidence in solid and solution of a discrete copper(I) tetrahedral complex dimer supported by supramolecular interactions
title_full Spectroscopic evidence in solid and solution of a discrete copper(I) tetrahedral complex dimer supported by supramolecular interactions
title_fullStr Spectroscopic evidence in solid and solution of a discrete copper(I) tetrahedral complex dimer supported by supramolecular interactions
title_full_unstemmed Spectroscopic evidence in solid and solution of a discrete copper(I) tetrahedral complex dimer supported by supramolecular interactions
title_sort Spectroscopic evidence in solid and solution of a discrete copper(I) tetrahedral complex dimer supported by supramolecular interactions
dc.creator.none.fl_str_mv Jara, Danilo H.
Lemus, Luis
Farías, Liliana
Freire Espeleta, Eleonora
Baggio, Ricardo Fortunato
Guerrero, Juan
author Jara, Danilo H.
author_facet Jara, Danilo H.
Lemus, Luis
Farías, Liliana
Freire Espeleta, Eleonora
Baggio, Ricardo Fortunato
Guerrero, Juan
author_role author
author2 Lemus, Luis
Farías, Liliana
Freire Espeleta, Eleonora
Baggio, Ricardo Fortunato
Guerrero, Juan
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv COPPER
NMR SPECTROSCOPY
PI INTERACTIONS
SELF-ASSEMBLY
SUPRAMOLECULAR CHEMISTRY
topic COPPER
NMR SPECTROSCOPY
PI INTERACTIONS
SELF-ASSEMBLY
SUPRAMOLECULAR CHEMISTRY
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The first study of the self-association of a copper(I) tetrahedral complex ([Cu(N-{4-nitrophenyl}pyridine-2-yl-methanimine)(PPh 3)Br]) has been performed. The formation of a discrete dimer supported by supramolecular π-π stacking and C-H·Br interactions was established by X-ray diffraction techniques. 1D- and 2D NMR techniques were used for the structural characterization of this compound in solution. Unexpected 1H- 1H NOE effects are coherent with the presence of a dimer in solution, whose structure replicates that found in the crystal. Dimerization constants obtained by VT- 1H NMR spectroscopy allowed the determination ofthe thermodynamic parameters for the self-association process, namely ΔS = -0.67±0.21 calmol -1K -1, ΔH = -2.00±0.05 kcalmol -1 and ΔG(298 K) = -1.79 kcalmol -1. Consequently, this association process is enthalpy driven.
Fil: Jara, Danilo H.. Universidad de Santiago de Chile; Chile
Fil: Lemus, Luis. Universidad de Santiago de Chile; Chile
Fil: Farías, Liliana. Universidad de Santiago de Chile; Chile
Fil: Freire Espeleta, Eleonora. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; Argentina. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina
Fil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica; Argentina
Fil: Guerrero, Juan. Universidad de Santiago de Chile; Chile
description The first study of the self-association of a copper(I) tetrahedral complex ([Cu(N-{4-nitrophenyl}pyridine-2-yl-methanimine)(PPh 3)Br]) has been performed. The formation of a discrete dimer supported by supramolecular π-π stacking and C-H·Br interactions was established by X-ray diffraction techniques. 1D- and 2D NMR techniques were used for the structural characterization of this compound in solution. Unexpected 1H- 1H NOE effects are coherent with the presence of a dimer in solution, whose structure replicates that found in the crystal. Dimerization constants obtained by VT- 1H NMR spectroscopy allowed the determination ofthe thermodynamic parameters for the self-association process, namely ΔS = -0.67±0.21 calmol -1K -1, ΔH = -2.00±0.05 kcalmol -1 and ΔG(298 K) = -1.79 kcalmol -1. Consequently, this association process is enthalpy driven.
publishDate 2012
dc.date.none.fl_str_mv 2012-03
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/11336/189121
Jara, Danilo H.; Lemus, Luis; Farías, Liliana; Freire Espeleta, Eleonora; Baggio, Ricardo Fortunato; et al.; Spectroscopic evidence in solid and solution of a discrete copper(I) tetrahedral complex dimer supported by supramolecular interactions; Wiley VCH Verlag; European Journal of Inorganic Chemistry; 10; 3-2012; 1579-1583
1434-1948
CONICET Digital
CONICET
url http://hdl.handle.net/11336/189121
identifier_str_mv Jara, Danilo H.; Lemus, Luis; Farías, Liliana; Freire Espeleta, Eleonora; Baggio, Ricardo Fortunato; et al.; Spectroscopic evidence in solid and solution of a discrete copper(I) tetrahedral complex dimer supported by supramolecular interactions; Wiley VCH Verlag; European Journal of Inorganic Chemistry; 10; 3-2012; 1579-1583
1434-1948
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/ejic.201101356
info:eu-repo/semantics/altIdentifier/doi/10.1002/ejic.201101356
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 Wiley VCH Verlag
publisher.none.fl_str_mv Wiley VCH Verlag
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 13.084122

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