A cross-phase reaction coordinate in the formation of a simple copper (II) orotate complex: Lability of crystals of a Jahn-Teller active intermediate

Isolable crystals of the cesium salt of an anionic Jahn-Teller-active Cu complex, initially formed by reaction in solution, are spontaneously consumed in a solvent-mediated crystal-to-crystal transformation that produces a final product with a four-coordinate Cu center. Depending on the size of the...

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Detalles Bibliográficos
Autores: Basdouri, Zeineb, Falvello, Larry R., Graia, Mohsen, Tomás, Milagros
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2022
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/270857
Acceso en línea:http://hdl.handle.net/10261/270857
Access Level:acceso abierto
Palabra clave:Reactive intermediate
Crystal-to-crystal transformation
Copper complex
Ligand-field stabilization energy
Jahn-Teller
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spelling A cross-phase reaction coordinate in the formation of a simple copper (II) orotate complex: Lability of crystals of a Jahn-Teller active intermediateBasdouri, ZeinebFalvello, Larry R.Graia, MohsenTomás, MilagrosReactive intermediateCrystal-to-crystal transformationCopper complexLigand-field stabilization energyJahn-TellerIsolable crystals of the cesium salt of an anionic Jahn-Teller-active Cu complex, initially formed by reaction in solution, are spontaneously consumed in a solvent-mediated crystal-to-crystal transformation that produces a final product with a four-coordinate Cu center. Depending on the size of the crystals of the intermediate and the evaporation rate of the solvent, the transformation from intermediate to final product occurs in a two-week time frame. The crystalline Jahn-Teller Cu intermediate presents a noteworthy difference in stability compared to its non-Jahn-Teller Ni-centered isomorph. It is proposed that a Jahn-Teller intermediate may precede the formation of other four-coordinate Cu complexes.This work was supported by the Spanish Ministerio de Ciencia e Innovación (Grant PGC2018–093451-B-I00), the European Union Regional Development Fund, (FEDER), and the Diputación General de Aragón, Project M4, E11_20R. The authors acknowledge the use of the Servicio General de Apoyo a la Investigación-SAI, Universidad de Zaragoza.Peer reviewedElsevierMinisterio de Ciencia, Innovación y Universidades (España)Agencia Estatal de Investigación (España)Ministerio de Ciencia e Innovación (España)Diputación General de AragónEuropean CommissionConsejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202220222022info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/270857reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglés#PLACEHOLDER_PARENT_METADATA_VALUE#info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PGC2018-093451-B-I00The underlying dataset has been published as supplementary material of the article in the publisher platform at DOI 10.1016/j.molstruc.2021.131640https://doi.org/10.1016/j.molstruc.2021.131640Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/2708572026-05-22T06:33:51Z
dc.title.none.fl_str_mv A cross-phase reaction coordinate in the formation of a simple copper (II) orotate complex: Lability of crystals of a Jahn-Teller active intermediate
title A cross-phase reaction coordinate in the formation of a simple copper (II) orotate complex: Lability of crystals of a Jahn-Teller active intermediate
spellingShingle A cross-phase reaction coordinate in the formation of a simple copper (II) orotate complex: Lability of crystals of a Jahn-Teller active intermediate
Basdouri, Zeineb
Reactive intermediate
Crystal-to-crystal transformation
Copper complex
Ligand-field stabilization energy
Jahn-Teller
title_short A cross-phase reaction coordinate in the formation of a simple copper (II) orotate complex: Lability of crystals of a Jahn-Teller active intermediate
title_full A cross-phase reaction coordinate in the formation of a simple copper (II) orotate complex: Lability of crystals of a Jahn-Teller active intermediate
title_fullStr A cross-phase reaction coordinate in the formation of a simple copper (II) orotate complex: Lability of crystals of a Jahn-Teller active intermediate
title_full_unstemmed A cross-phase reaction coordinate in the formation of a simple copper (II) orotate complex: Lability of crystals of a Jahn-Teller active intermediate
title_sort A cross-phase reaction coordinate in the formation of a simple copper (II) orotate complex: Lability of crystals of a Jahn-Teller active intermediate
dc.creator.none.fl_str_mv Basdouri, Zeineb
Falvello, Larry R.
Graia, Mohsen
Tomás, Milagros
author Basdouri, Zeineb
author_facet Basdouri, Zeineb
Falvello, Larry R.
Graia, Mohsen
Tomás, Milagros
author_role author
author2 Falvello, Larry R.
Graia, Mohsen
Tomás, Milagros
author2_role author
author
author
dc.contributor.none.fl_str_mv Ministerio de Ciencia, Innovación y Universidades (España)
Agencia Estatal de Investigación (España)
Ministerio de Ciencia e Innovación (España)
Diputación General de Aragón
European Commission
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv Reactive intermediate
Crystal-to-crystal transformation
Copper complex
Ligand-field stabilization energy
Jahn-Teller
topic Reactive intermediate
Crystal-to-crystal transformation
Copper complex
Ligand-field stabilization energy
Jahn-Teller
description Isolable crystals of the cesium salt of an anionic Jahn-Teller-active Cu complex, initially formed by reaction in solution, are spontaneously consumed in a solvent-mediated crystal-to-crystal transformation that produces a final product with a four-coordinate Cu center. Depending on the size of the crystals of the intermediate and the evaporation rate of the solvent, the transformation from intermediate to final product occurs in a two-week time frame. The crystalline Jahn-Teller Cu intermediate presents a noteworthy difference in stability compared to its non-Jahn-Teller Ni-centered isomorph. It is proposed that a Jahn-Teller intermediate may precede the formation of other four-coordinate Cu complexes.
publishDate 2022
dc.date.none.fl_str_mv 2022
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/10261/270857
url http://hdl.handle.net/10261/270857
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv #PLACEHOLDER_PARENT_METADATA_VALUE#
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PGC2018-093451-B-I00
The underlying dataset has been published as supplementary material of the article in the publisher platform at DOI 10.1016/j.molstruc.2021.131640
https://doi.org/10.1016/j.molstruc.2021.131640
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)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15.812429

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