Structural diversity of hydrogen-bonded 4-aryl-3,5-dimethylpyrazoles for supramolecular materials

This article belongs to the Section Materials Chemistry.

Detalles Bibliográficos
Autores: Moyano, Sandra, Diosdado, Beatriz E., San Felices, Leire, Elduque, Anabel, Giménez Soro, Raquel
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2021
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/261547
Acceso en línea:http://hdl.handle.net/10261/261547
Access Level:acceso abierto
Palabra clave:Supramolecular chemistry
Hirshfeld surface analysis
Hydrogen bond
X-ray
Pyrazole
Luminescence
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spelling Structural diversity of hydrogen-bonded 4-aryl-3,5-dimethylpyrazoles for supramolecular materialsMoyano, SandraDiosdado, Beatriz E.San Felices, LeireElduque, AnabelGiménez Soro, RaquelSupramolecular chemistryHirshfeld surface analysisHydrogen bondX-rayPyrazoleLuminescenceThis article belongs to the Section Materials Chemistry.The 1H-pyrazoles have high versatility and ability to form hydrogen-bonded supramolecular materials. In this study, the thermal stability, fluorescence, and H-bonding ability of the studied 3,5-dimethyl-4-(4-X-phenyl)-1H-pyrazoles showed large differences depending on the terminal substituent. Supramolecular structures were analyzed using X-ray diffraction and Hirshfeld surface calculations. Compounds were found to arrange in different hydrogen-bonded structures, depending on the substitution at the para position of the phenyl ring (X = OCH3, NO2, NH2). The methoxy-substituted compounds arranged in dimers through methanol bridges, the nitro-substituted compound formed supramolecular polymers or catemers, and the amino-substituted compound gave rise to a new structure based on a 2D hydrogen-bonded network.This research was funded by the Gobierno de Aragón (projects PM068/2007, PI109/09, research groups E47_20R and E50_20D), and FEDER/MICIU-AEI/projects PGC2018-093761-B-C31 and CTQ2017-83421-P.Peer reviewedMultidisciplinary Digital Publishing InstituteGobierno de AragónMinisterio de Ciencia, Innovación y Universidades (España)Agencia Estatal de Investigación (España)European CommissionConsejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202220222021info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/261547reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglés#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/PGC2018-093761-B-C31info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2017-83421-Phttps://doi.org/10.3390/ma14164550Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/2615472026-05-22T06:33:51Z
dc.title.none.fl_str_mv Structural diversity of hydrogen-bonded 4-aryl-3,5-dimethylpyrazoles for supramolecular materials
title Structural diversity of hydrogen-bonded 4-aryl-3,5-dimethylpyrazoles for supramolecular materials
spellingShingle Structural diversity of hydrogen-bonded 4-aryl-3,5-dimethylpyrazoles for supramolecular materials
Moyano, Sandra
Supramolecular chemistry
Hirshfeld surface analysis
Hydrogen bond
X-ray
Pyrazole
Luminescence
title_short Structural diversity of hydrogen-bonded 4-aryl-3,5-dimethylpyrazoles for supramolecular materials
title_full Structural diversity of hydrogen-bonded 4-aryl-3,5-dimethylpyrazoles for supramolecular materials
title_fullStr Structural diversity of hydrogen-bonded 4-aryl-3,5-dimethylpyrazoles for supramolecular materials
title_full_unstemmed Structural diversity of hydrogen-bonded 4-aryl-3,5-dimethylpyrazoles for supramolecular materials
title_sort Structural diversity of hydrogen-bonded 4-aryl-3,5-dimethylpyrazoles for supramolecular materials
dc.creator.none.fl_str_mv Moyano, Sandra
Diosdado, Beatriz E.
San Felices, Leire
Elduque, Anabel
Giménez Soro, Raquel
author Moyano, Sandra
author_facet Moyano, Sandra
Diosdado, Beatriz E.
San Felices, Leire
Elduque, Anabel
Giménez Soro, Raquel
author_role author
author2 Diosdado, Beatriz E.
San Felices, Leire
Elduque, Anabel
Giménez Soro, Raquel
author2_role author
author
author
author
dc.contributor.none.fl_str_mv Gobierno de Aragón
Ministerio de Ciencia, Innovación y Universidades (España)
Agencia Estatal de Investigación (España)
European Commission
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv Supramolecular chemistry
Hirshfeld surface analysis
Hydrogen bond
X-ray
Pyrazole
Luminescence
topic Supramolecular chemistry
Hirshfeld surface analysis
Hydrogen bond
X-ray
Pyrazole
Luminescence
description This article belongs to the Section Materials Chemistry.
publishDate 2021
dc.date.none.fl_str_mv 2021
2022
2022
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/10261/261547
url http://hdl.handle.net/10261/261547
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv #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/PGC2018-093761-B-C31
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2017-83421-P
https://doi.org/10.3390/ma14164550
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Multidisciplinary Digital Publishing Institute
publisher.none.fl_str_mv Multidisciplinary Digital Publishing Institute
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)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
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