Single-crystal-to-single-crystal transformation and catalytic properties of new hybrid perhalidometallates

This article belongs to the Special Issue Catalytic Approaches to Selective Elaboration of Organic Molecules.

Detalles Bibliográficos
Autores: Rayes, Ali, Zárate-Roldán, Stephany, Ara, Irene, Moncer, Manel, Dege, Necmi, Gimeno, M. Concepción, Ayed, Brahim, Herrera, Raquel P.
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:10261/261530
Acceso en línea:http://hdl.handle.net/10261/261530
Access Level:acceso abierto
Palabra clave:Perhalidometallates
Acetalization
X-ray crystal structure
Catalysis
Thermal analysis
Hirshfeld surface analysis
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spelling Single-crystal-to-single-crystal transformation and catalytic properties of new hybrid perhalidometallatesRayes, AliZárate-Roldán, StephanyAra, IreneMoncer, ManelDege, NecmiGimeno, M. ConcepciónAyed, BrahimHerrera, Raquel P.PerhalidometallatesAcetalizationX-ray crystal structureCatalysisThermal analysisHirshfeld surface analysisThis article belongs to the Special Issue Catalytic Approaches to Selective Elaboration of Organic Molecules.Two new organic–inorganic salts of perhalidometallates with protonated organic amine cations have been synthesized and characterized by X-ray diffraction and thermal analysis. (CHBMAH2)ZnBr4·3/2H2O 1 and (CHBMAH2)ZnCl4 4 [(CHBMAH2)2+: 1,3-cyclohexanebis(methylammonium)] were obtained in single-crystal form. The crystal packing in all of the obtained compounds is governed by the formation of various non-covalent intermolecular forces between tetrahalidometallate anions and organic cations, assisted by water molecules in the hydrates. Hirshfeld surface analysis denotes that the most important contributions to the crystal packing are X···H/H···X (X: Cl, Br, I) and H···H interactions. Interestingly, the compound 1,3-cyclohexanebis(methylammonium)tetrachloridozincate (II) dihydrate, (CHBMAH2)ZnCl4·2H2O 2, undergoes thermally-triggered single-crystal-to-single-crystal (SCSC) transformation upon dehydration to produce a supramolecular solid compound, 1,3-cyclohexanebis(methylammonium) tetrachloridozincate (II), (CHBMAH2)ZnCl4 4. The SCSC transformation causes changes in the lattice parameters and a structural rearrangement. Furthermore, the catalytic properties of (CHBMAH2)ZnCl4·2H2O 2 and (CHBMAH2)CdI4·2H2O 3 have been explored in the acetalization process using various uncommon alcohols, beyond methanol or ethanol, for the first time in the literature, with outstanding results, and opening the door to the formation of alternative acetals.This research was funded by Agencia Estatal de Investigación (AEI), projects CTQ2017-88091-P, PID2019-104379RB-C21, PID2020-117455GB-I00 and PGC2018-093451-B-I00 and Gobierno de Aragón-Fondo Social Europeo (Research Groups E07_20R and E17_17R).Peer reviewedMultidisciplinary Digital Publishing InstituteMinisterio de Economía y Competitividad (España)Agencia Estatal de Investigación (España)Ministerio de Ciencia, Innovación y Universidades (España)Gobierno de AragónEuropean 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/10261/261530reponame: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 2013-2016/CTQ2017-88091-Pinfo:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2019-104379RB-C21info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2020-117455GB-I00info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PGC2018-093451-B-I00https://doi.org/10.3390/catal11070758Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/2615302026-05-22T06:33:51Z
dc.title.none.fl_str_mv Single-crystal-to-single-crystal transformation and catalytic properties of new hybrid perhalidometallates
title Single-crystal-to-single-crystal transformation and catalytic properties of new hybrid perhalidometallates
spellingShingle Single-crystal-to-single-crystal transformation and catalytic properties of new hybrid perhalidometallates
Rayes, Ali
Perhalidometallates
Acetalization
X-ray crystal structure
Catalysis
Thermal analysis
Hirshfeld surface analysis
title_short Single-crystal-to-single-crystal transformation and catalytic properties of new hybrid perhalidometallates
title_full Single-crystal-to-single-crystal transformation and catalytic properties of new hybrid perhalidometallates
title_fullStr Single-crystal-to-single-crystal transformation and catalytic properties of new hybrid perhalidometallates
title_full_unstemmed Single-crystal-to-single-crystal transformation and catalytic properties of new hybrid perhalidometallates
title_sort Single-crystal-to-single-crystal transformation and catalytic properties of new hybrid perhalidometallates
dc.creator.none.fl_str_mv Rayes, Ali
Zárate-Roldán, Stephany
Ara, Irene
Moncer, Manel
Dege, Necmi
Gimeno, M. Concepción
Ayed, Brahim
Herrera, Raquel P.
author Rayes, Ali
author_facet Rayes, Ali
Zárate-Roldán, Stephany
Ara, Irene
Moncer, Manel
Dege, Necmi
Gimeno, M. Concepción
Ayed, Brahim
Herrera, Raquel P.
author_role author
author2 Zárate-Roldán, Stephany
Ara, Irene
Moncer, Manel
Dege, Necmi
Gimeno, M. Concepción
Ayed, Brahim
Herrera, Raquel P.
author2_role author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Ministerio de Economía y Competitividad (España)
Agencia Estatal de Investigación (España)
Ministerio de Ciencia, Innovación y Universidades (España)
Gobierno de Aragón
European Commission
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv Perhalidometallates
Acetalization
X-ray crystal structure
Catalysis
Thermal analysis
Hirshfeld surface analysis
topic Perhalidometallates
Acetalization
X-ray crystal structure
Catalysis
Thermal analysis
Hirshfeld surface analysis
description This article belongs to the Special Issue Catalytic Approaches to Selective Elaboration of Organic Molecules.
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/10261/261530
url http://hdl.handle.net/10261/261530
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
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#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 2013-2016/CTQ2017-88091-P
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2019-104379RB-C21
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2020-117455GB-I00
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PGC2018-093451-B-I00
https://doi.org/10.3390/catal11070758
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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