Discrete versus polymeric structures of coordination compounds of copper(II) with (pyridin-2-yl)methylenenicotinohydrazide and a library of dicarboxylic acids

A series of copper(II) discrete and polymeric coordination compounds, namely [{CuL(H2O)}2(fum)] (1), [{CuL(H2O)}2(mes)] (2), [Cu2L2(glu)]n·2n(H2O) (3·2n(H2O)) and [Cu3L2(adi)2]n (4) were fabricated from (pyridin-2-yl)methylenenicotinohydrazide (HL) and a library of dicarboxylic acids, namely fumaric...

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Autores: Benito, Mónica, Mahmoudi, Ghodrat, Molins, Elies, Zangrando, Ennio, Servati Gargari, Masoumeh, Frontera, Antonio, Safin, Damir A.
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2024
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/373148
Acceso en línea:http://hdl.handle.net/10261/373148
https://api.elsevier.com/content/abstract/scopus_id/85204470400
Access Level:acceso abierto
Palabra clave:Coordination polymer
Copper complexes
Crystal structure
Hydrazone ligands
Mechanochemistry
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spelling Discrete versus polymeric structures of coordination compounds of copper(II) with (pyridin-2-yl)methylenenicotinohydrazide and a library of dicarboxylic acidsBenito, MónicaMahmoudi, GhodratMolins, EliesZangrando, EnnioServati Gargari, MasoumehFrontera, AntonioSafin, Damir A.Coordination polymerCopper complexesCrystal structureHydrazone ligandsMechanochemistryA series of copper(II) discrete and polymeric coordination compounds, namely [{CuL(H2O)}2(fum)] (1), [{CuL(H2O)}2(mes)] (2), [Cu2L2(glu)]n·2n(H2O) (3·2n(H2O)) and [Cu3L2(adi)2]n (4) were fabricated from (pyridin-2-yl)methylenenicotinohydrazide (HL) and a library of dicarboxylic acids, namely fumaric acid (H2fum), mesaconic acid (H2mes), glutaric acid (H2glu) and adipic acid (H2adi), using evaporative crystallization, grinding and slurry synthesis methods. The obtained coordination compounds have been fully characterized by single crystal X-ray diffraction revealing different types of complexes depending on the linker length, viz. from dinuclear complexes for the shorter linkers (fumaric and mesaconic acids) to 1D and 2D coordination polymers for longer glutaric and adipic acids. Thermal stability and spectroscopic features (FTIR and diffuse reflectance) of complexes were also studied. For the nonpolymeric compounds 1 and 2, the supramolecular assemblies driven by a combination of antiparallel π-stacking and hydrogen bonding interactions have been studied and compared using DFT calculations, MEP surface analysis and a combination of QTAIM and NCIplot computational tools.M. Benito and E. Molins acknowledge financial support from the State Investigation Agency, through the Severo Ochoa Programme for Centres of Excellence (projects CEX2019-00917-S and CEX2023-001263-S). M. Benito and E. Molins also thank the X-ray diffraction, thermal analysis and spectroscopic services from the ICMAB. This research was funded by the MICIU/AEI of Spain (project PID2021-1245720B-C32 and PID2020-115637GB-I00).With funding from the Spanish government through the ‘Severo Ochoa Centre of Excellence’ accreditation (CEX2019-000917-S). With funding from the Spanish government through the ‘Severo Ochoa Centre of Excellence’ accreditation (CEX2023-001263-S).Peer reviewedElsevierAgencia Estatal de Investigación (España)Ministerio de Ciencia, Innovación y Universidades (España)Ministerio de Ciencia e Innovación (España)Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202420242024info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/373148https://api.elsevier.com/content/abstract/scopus_id/85204470400reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglés#PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE#info:eu-repo/grantAgreement/AEI/Plan Estatal de investigación Científica y Técnica y de Innovación 2017-2020/CEX2019-000917-Sinfo:eu-repo/grantAgreement/AEI/Plan Estatal de investigación Científica y Técnica y de Innovación 2021-2023/CEX2023-001263-Sinfo:eu-repo/grantAgreement/MICINN/Plan Estatal de investigación Científica y Técnica y de Innovación 2021-2023/PID2021-1245720B-C32info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2020-115637GB-I00Inorganic Chemistry Communicationshttp://doi.org/10.1016/j.inoche.2024.113150Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/3731482026-05-22T06:33:51Z
dc.title.none.fl_str_mv Discrete versus polymeric structures of coordination compounds of copper(II) with (pyridin-2-yl)methylenenicotinohydrazide and a library of dicarboxylic acids
title Discrete versus polymeric structures of coordination compounds of copper(II) with (pyridin-2-yl)methylenenicotinohydrazide and a library of dicarboxylic acids
spellingShingle Discrete versus polymeric structures of coordination compounds of copper(II) with (pyridin-2-yl)methylenenicotinohydrazide and a library of dicarboxylic acids
Benito, Mónica
Coordination polymer
Copper complexes
Crystal structure
Hydrazone ligands
Mechanochemistry
title_short Discrete versus polymeric structures of coordination compounds of copper(II) with (pyridin-2-yl)methylenenicotinohydrazide and a library of dicarboxylic acids
title_full Discrete versus polymeric structures of coordination compounds of copper(II) with (pyridin-2-yl)methylenenicotinohydrazide and a library of dicarboxylic acids
title_fullStr Discrete versus polymeric structures of coordination compounds of copper(II) with (pyridin-2-yl)methylenenicotinohydrazide and a library of dicarboxylic acids
title_full_unstemmed Discrete versus polymeric structures of coordination compounds of copper(II) with (pyridin-2-yl)methylenenicotinohydrazide and a library of dicarboxylic acids
title_sort Discrete versus polymeric structures of coordination compounds of copper(II) with (pyridin-2-yl)methylenenicotinohydrazide and a library of dicarboxylic acids
dc.creator.none.fl_str_mv Benito, Mónica
Mahmoudi, Ghodrat
Molins, Elies
Zangrando, Ennio
Servati Gargari, Masoumeh
Frontera, Antonio
Safin, Damir A.
author Benito, Mónica
author_facet Benito, Mónica
Mahmoudi, Ghodrat
Molins, Elies
Zangrando, Ennio
Servati Gargari, Masoumeh
Frontera, Antonio
Safin, Damir A.
author_role author
author2 Mahmoudi, Ghodrat
Molins, Elies
Zangrando, Ennio
Servati Gargari, Masoumeh
Frontera, Antonio
Safin, Damir A.
author2_role author
author
author
author
author
author
dc.contributor.none.fl_str_mv Agencia Estatal de Investigación (España)
Ministerio de Ciencia, Innovación y Universidades (España)
Ministerio de Ciencia e Innovación (España)
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv Coordination polymer
Copper complexes
Crystal structure
Hydrazone ligands
Mechanochemistry
topic Coordination polymer
Copper complexes
Crystal structure
Hydrazone ligands
Mechanochemistry
description A series of copper(II) discrete and polymeric coordination compounds, namely [{CuL(H2O)}2(fum)] (1), [{CuL(H2O)}2(mes)] (2), [Cu2L2(glu)]n·2n(H2O) (3·2n(H2O)) and [Cu3L2(adi)2]n (4) were fabricated from (pyridin-2-yl)methylenenicotinohydrazide (HL) and a library of dicarboxylic acids, namely fumaric acid (H2fum), mesaconic acid (H2mes), glutaric acid (H2glu) and adipic acid (H2adi), using evaporative crystallization, grinding and slurry synthesis methods. The obtained coordination compounds have been fully characterized by single crystal X-ray diffraction revealing different types of complexes depending on the linker length, viz. from dinuclear complexes for the shorter linkers (fumaric and mesaconic acids) to 1D and 2D coordination polymers for longer glutaric and adipic acids. Thermal stability and spectroscopic features (FTIR and diffuse reflectance) of complexes were also studied. For the nonpolymeric compounds 1 and 2, the supramolecular assemblies driven by a combination of antiparallel π-stacking and hydrogen bonding interactions have been studied and compared using DFT calculations, MEP surface analysis and a combination of QTAIM and NCIplot computational tools.
publishDate 2024
dc.date.none.fl_str_mv 2024
2024
2024
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Publisher's version
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/373148
https://api.elsevier.com/content/abstract/scopus_id/85204470400
url http://hdl.handle.net/10261/373148
https://api.elsevier.com/content/abstract/scopus_id/85204470400
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
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#PLACEHOLDER_PARENT_METADATA_VALUE#
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info:eu-repo/grantAgreement/AEI/Plan Estatal de investigación Científica y Técnica y de Innovación 2017-2020/CEX2019-000917-S
info:eu-repo/grantAgreement/AEI/Plan Estatal de investigación Científica y Técnica y de Innovación 2021-2023/CEX2023-001263-S
info:eu-repo/grantAgreement/MICINN/Plan Estatal de investigación Científica y Técnica y de Innovación 2021-2023/PID2021-1245720B-C32
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2020-115637GB-I00
Inorganic Chemistry Communications
http://doi.org/10.1016/j.inoche.2024.113150
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
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