Cobalt(II) and nickel(II) cubane {M4O4} complexes derivedfrom di-2-pyridyl ketone and benzoate : syntheses, structure and magnetic properties
Resumen:
Two tetranuclear complexes were obtained by a self-assembly process employing di-2-pyridyl ketone ((py)2CO), benzoate and M(NO3)2 (M = Co and Ni). The compounds [M4{(py)2C(OH)O}4(O2CPh)4], where {(py)2C(OH)O}− is the monoanion of the gem-diol form of (py)2CO, were characterized through single-crystal X-ray diffraction and magnetic measurements. Structural analysis revealed that both complexes possess a [M4O4] cubane-like core. A two-J model and magnetic anisotropy were employed to analyze the magnetic properties of both compounds. These studies indicate the presence of dominant ferromagnetic interactions within both tetranuclear cores. DFT and CASSCF/NEVPT2 calculations were also performed to support the fitting of experimental magnetic data.
| 2025 | |
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Propiedades magnéticas Níquel Cobalto Teoría funcional de la densidad Estructuras cristalinas |
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| Inglés | |
| Universidad de la República | |
| COLIBRI | |
| https://hdl.handle.net/20.500.12008/52796 | |
| Acceso abierto | |
| Licencia Creative Commons Atribución (CC - By 4.0) |
| _version_ | 1875693329401774080 |
|---|---|
| author | Pejo, Carolina |
| author2 | Valiero, Santiago Rojas-Dotti, Carlos Guedes, Guilherme P. Cano, Joan Novak, Miguel A. Chiozzone, Raúl Vaz, Maria G. F. González, Ricardo |
| author2_role | author author author author author author author author |
| author_facet | Pejo, Carolina Valiero, Santiago Rojas-Dotti, Carlos Guedes, Guilherme P. Cano, Joan Novak, Miguel A. Chiozzone, Raúl Vaz, Maria G. F. González, Ricardo |
| author_role | author |
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| collection | COLIBRI |
| dc.contributor.filiacion.none.fl_str_mv | Pejo Carolina, Universidad de la República (Uruguay). Facultad de Química Valiero Santiago, Universidad de la República (Uruguay). Facultad de Química Rojas-Dotti Carlos, Universidad de la República (Uruguay). Facultad de Química Guedes Guilherme P., Universidade Federal Fluminense (Brazil). Instituto de Química Cano Joan, Universitat de València (Spain). Instituto de Ciencia Molecular (ICMol) Novak Miguel A., Universidade Federal Fluminense (Brazil). Instituto de Física Chiozzone Raúl, Universidad de la República (Uruguay). Facultad de Química Vaz Maria G. F., Universidade Federal Fluminense (Brazil). Instituto de Química González Ricardo, Universidad de la República (Uruguay). Facultad de Química |
| dc.creator.none.fl_str_mv | Pejo, Carolina Valiero, Santiago Rojas-Dotti, Carlos Guedes, Guilherme P. Cano, Joan Novak, Miguel A. Chiozzone, Raúl Vaz, Maria G. F. González, Ricardo |
| dc.date.accessioned.none.fl_str_mv | 2025-12-03T17:36:42Z |
| dc.date.available.none.fl_str_mv | 2025-12-03T17:36:42Z |
| dc.date.issued.none.fl_str_mv | 2025 |
| dc.description.abstract.none.fl_txt_mv | Two tetranuclear complexes were obtained by a self-assembly process employing di-2-pyridyl ketone ((py)2CO), benzoate and M(NO3)2 (M = Co and Ni). The compounds [M4{(py)2C(OH)O}4(O2CPh)4], where {(py)2C(OH)O}− is the monoanion of the gem-diol form of (py)2CO, were characterized through single-crystal X-ray diffraction and magnetic measurements. Structural analysis revealed that both complexes possess a [M4O4] cubane-like core. A two-J model and magnetic anisotropy were employed to analyze the magnetic properties of both compounds. These studies indicate the presence of dominant ferromagnetic interactions within both tetranuclear cores. DFT and CASSCF/NEVPT2 calculations were also performed to support the fitting of experimental magnetic data. |
| dc.format.extent.es.fl_str_mv | 18 p. |
| dc.format.mimetype.es.fl_str_mv | application/pdf |
| dc.identifier.citation.es.fl_str_mv | Pejo, C., Valiero, S., Rojas-Dotti, C. y otros. "Cobalt(II) and nickel(II) cubane {M4O4} complexes derivedfrom di-2-pyridyl ketone and benzoate : syntheses, structure and magnetic properties". Magnetochemistry [en línea] v. 11, n°4, 2025. -- e34. 18 p. |
| dc.identifier.doi.none.fl_str_mv | 10.3390/magnetochemistry11040034 |
| dc.identifier.uri.none.fl_str_mv | https://hdl.handle.net/20.500.12008/52796 |
| dc.language.iso.none.fl_str_mv | en eng |
| dc.publisher.es.fl_str_mv | MDPI |
| dc.relation.none.fl_str_mv | PDF Magnetochemistry, v. 11, n°4, 2025. -- e34 |
| dc.rights.*.fl_str_mv | An error occurred on the license name. |
| dc.rights.license.none.fl_str_mv | Licencia Creative Commons Atribución (CC - By 4.0) |
| dc.rights.none.fl_str_mv | info:eu-repo/semantics/openAccess |
| dc.rights.uri.*.fl_str_mv | An error occurred getting the license - uri. |
| dc.source.none.fl_str_mv | reponame:COLIBRI instname:Universidad de la República instacron:Universidad de la República |
| dc.subject.es.fl_str_mv | Propiedades magnéticas Níquel Cobalto Teoría funcional de la densidad Estructuras cristalinas |
| dc.title.none.fl_str_mv | Cobalt(II) and nickel(II) cubane {M4O4} complexes derivedfrom di-2-pyridyl ketone and benzoate : syntheses, structure and magnetic properties |
| dc.type.es.fl_str_mv | Artículo |
| dc.type.none.fl_str_mv | info:eu-repo/semantics/article |
| dc.type.version.none.fl_str_mv | info:eu-repo/semantics/publishedVersion |
| description | Two tetranuclear complexes were obtained by a self-assembly process employing di-2-pyridyl ketone ((py)2CO), benzoate and M(NO3)2 (M = Co and Ni). The compounds [M4{(py)2C(OH)O}4(O2CPh)4], where {(py)2C(OH)O}− is the monoanion of the gem-diol form of (py)2CO, were characterized through single-crystal X-ray diffraction and magnetic measurements. Structural analysis revealed that both complexes possess a [M4O4] cubane-like core. A two-J model and magnetic anisotropy were employed to analyze the magnetic properties of both compounds. These studies indicate the presence of dominant ferromagnetic interactions within both tetranuclear cores. DFT and CASSCF/NEVPT2 calculations were also performed to support the fitting of experimental magnetic data. |
| eu_rights_str_mv | openAccess |
| format | article |
| id | COLIBRI_829e7dc8371010c9b8eb6db0c8bfe7d4 |
| identifier_str_mv | Pejo, C., Valiero, S., Rojas-Dotti, C. y otros. "Cobalt(II) and nickel(II) cubane {M4O4} complexes derivedfrom di-2-pyridyl ketone and benzoate : syntheses, structure and magnetic properties". Magnetochemistry [en línea] v. 11, n°4, 2025. -- e34. 18 p. 10.3390/magnetochemistry11040034 |
| instacron_str | Universidad de la República |
| institution | Universidad de la República |
| instname_str | Universidad de la República |
| language | eng |
| language_invalid_str_mv | en |
| network_acronym_str | COLIBRI |
| network_name_str | COLIBRI |
| oai_identifier_str | oai:colibri.udelar.edu.uy:20.500.12008/52796 |
| publishDate | 2025 |
| reponame_str | COLIBRI |
| repository.mail.fl_str_mv | karina.camps@seciu.edu.uy |
| repository.name.fl_str_mv | COLIBRI - Universidad de la República |
| repository_id_str | 4771 |
| rights_invalid_str_mv | An error occurred on the license name. An error occurred getting the license - uri. Licencia Creative Commons Atribución (CC - By 4.0) |
| spelling | Pejo Carolina, Universidad de la República (Uruguay). Facultad de QuímicaValiero Santiago, Universidad de la República (Uruguay). Facultad de QuímicaRojas-Dotti Carlos, Universidad de la República (Uruguay). Facultad de QuímicaGuedes Guilherme P., Universidade Federal Fluminense (Brazil). Instituto de QuímicaCano Joan, Universitat de València (Spain). Instituto de Ciencia Molecular (ICMol)Novak Miguel A., Universidade Federal Fluminense (Brazil). Instituto de FísicaChiozzone Raúl, Universidad de la República (Uruguay). Facultad de QuímicaVaz Maria G. F., Universidade Federal Fluminense (Brazil). Instituto de QuímicaGonzález Ricardo, Universidad de la República (Uruguay). Facultad de Química2025-12-03T17:36:42Z2025-12-03T17:36:42Z2025Pejo, C., Valiero, S., Rojas-Dotti, C. y otros. "Cobalt(II) and nickel(II) cubane {M4O4} complexes derivedfrom di-2-pyridyl ketone and benzoate : syntheses, structure and magnetic properties". Magnetochemistry [en línea] v. 11, n°4, 2025. -- e34. 18 p.https://hdl.handle.net/20.500.12008/5279610.3390/magnetochemistry11040034Two tetranuclear complexes were obtained by a self-assembly process employing di-2-pyridyl ketone ((py)2CO), benzoate and M(NO3)2 (M = Co and Ni). The compounds [M4{(py)2C(OH)O}4(O2CPh)4], where {(py)2C(OH)O}− is the monoanion of the gem-diol form of (py)2CO, were characterized through single-crystal X-ray diffraction and magnetic measurements. Structural analysis revealed that both complexes possess a [M4O4] cubane-like core. A two-J model and magnetic anisotropy were employed to analyze the magnetic properties of both compounds. These studies indicate the presence of dominant ferromagnetic interactions within both tetranuclear cores. DFT and CASSCF/NEVPT2 calculations were also performed to support the fitting of experimental magnetic data.Submitted by Suhr Deborah (dsuhr@fq.edu.uy) on 2025-12-02T14:56:20Z No. of bitstreams: 2 license_rdf: 25630 bytes, checksum: e7132498e7c1fe99f7096667baa99b25 (MD5) Cobalt.pdf: 2839034 bytes, checksum: c2a9042e52b6ecb075ca9ac0983c7df9 (MD5)Made available in DSpace by Luna Fabiana (fabiana.luna@seciu.edu.uy) on 2025-12-03T17:36:42Z (GMT). No. of bitstreams: 2 license_rdf: 25630 bytes, checksum: e7132498e7c1fe99f7096667baa99b25 (MD5) Cobalt.pdf: 2839034 bytes, checksum: c2a9042e52b6ecb075ca9ac0983c7df9 (MD5) Previous issue date: 202518 p.application/pdfenengMDPIPDFMagnetochemistry, v. 11, n°4, 2025. -- e34Las obras depositadas en el Repositorio se rigen por la Ordenanza de los Derechos de la Propiedad Intelectual de la Universidad de la República.(Res. Nº 91 de C.D.C. de 8/III/1994 – D.O. 7/IV/1994) y por la Ordenanza del Repositorio Abierto de la Universidad de la República (Res. Nº 16 de C.D.C. de 07/10/2014)An error occurred on the license name.An error occurred getting the license - uri.info:eu-repo/semantics/openAccessLicencia Creative Commons Atribución (CC - By 4.0)Propiedades magnéticasNíquelCobaltoTeoría funcional de la densidadEstructuras cristalinasCobalt(II) and nickel(II) cubane {M4O4} complexes derivedfrom di-2-pyridyl ketone and benzoate : syntheses, structure and magnetic propertiesArtículoinfo:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionreponame:COLIBRIinstname:Universidad de la Repúblicainstacron:Universidad de la RepúblicaPejo, CarolinaValiero, SantiagoRojas-Dotti, CarlosGuedes, Guilherme P.Cano, JoanNovak, Miguel A.Chiozzone, RaúlVaz, Maria G. F.González, RicardoLICENSElicense.txtlicense.txttext/plain; charset=utf-84267http://localhost:8080/xmlui/bitstream/20.500.12008/52796/5/license.txt6429389a7df7277b72b7924fdc7d47a9MD55CC-LICENSElicense_urllicense_urltext/plain; charset=utf-844http://localhost:8080/xmlui/bitstream/20.500.12008/52796/2/license_urla0ebbeafb9d2ec7cbb19d7137ebc392cMD52license_textlicense_texttext/html; charset=utf-827049http://localhost:8080/xmlui/bitstream/20.500.12008/52796/3/license_text89ecde92680a3d57e482cf99ce4bb921MD53license_rdflicense_rdfapplication/rdf+xml; charset=utf-825630http://localhost:8080/xmlui/bitstream/20.500.12008/52796/4/license_rdfe7132498e7c1fe99f7096667baa99b25MD54ORIGINALCobalt.pdfCobalt.pdfapplication/pdf2839034http://localhost:8080/xmlui/bitstream/20.500.12008/52796/1/Cobalt.pdfc2a9042e52b6ecb075ca9ac0983c7df9MD5120.500.12008/527962025-12-03 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- Universidad de la Repúblicafalse |
| spellingShingle | Cobalt(II) and nickel(II) cubane {M4O4} complexes derivedfrom di-2-pyridyl ketone and benzoate : syntheses, structure and magnetic properties Pejo, Carolina Propiedades magnéticas Níquel Cobalto Teoría funcional de la densidad Estructuras cristalinas |
| status_str | publishedVersion |
| title | Cobalt(II) and nickel(II) cubane {M4O4} complexes derivedfrom di-2-pyridyl ketone and benzoate : syntheses, structure and magnetic properties |
| title_full | Cobalt(II) and nickel(II) cubane {M4O4} complexes derivedfrom di-2-pyridyl ketone and benzoate : syntheses, structure and magnetic properties |
| title_fullStr | Cobalt(II) and nickel(II) cubane {M4O4} complexes derivedfrom di-2-pyridyl ketone and benzoate : syntheses, structure and magnetic properties |
| title_full_unstemmed | Cobalt(II) and nickel(II) cubane {M4O4} complexes derivedfrom di-2-pyridyl ketone and benzoate : syntheses, structure and magnetic properties |
| title_short | Cobalt(II) and nickel(II) cubane {M4O4} complexes derivedfrom di-2-pyridyl ketone and benzoate : syntheses, structure and magnetic properties |
| title_sort | Cobalt(II) and nickel(II) cubane {M4O4} complexes derivedfrom di-2-pyridyl ketone and benzoate : syntheses, structure and magnetic properties |
| topic | Propiedades magnéticas Níquel Cobalto Teoría funcional de la densidad Estructuras cristalinas |
| url | https://hdl.handle.net/20.500.12008/52796 |
