Multiscale study of mononuclear CoII SMMs based on curcuminoid ligands

Edge article.-- et al.

Bibliographic Details
Authors: Diaz Torres, Raul, Roubeau, Olivier, Sorrenti, Alessandro, Teat, Simon J., Fraxedas, J., Aliaga Alcalde, Nuria
Format: article
Status:Published version
Publication Date:2016
Country:España
Institution:Consejo Superior de Investigaciones Científicas (CSIC)
Repository:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/159710
Online Access:http://hdl.handle.net/10261/159710
Access Level:Open access
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spelling Multiscale study of mononuclear CoII SMMs based on curcuminoid ligandsDiaz Torres, RaulRoubeau, OlivierSorrenti, AlessandroTeat, Simon J.Fraxedas, J.Aliaga Alcalde, NuriaEdge article.-- et al.This work introduces a novel family of Co species having a curcuminoid (CCMoid) ligand, 9Accm, attached, namely [Co(9Accm)(py)] (1) and [Co(9Accm)(2,2′-bpy)] (2), achieved in high yields by the use of a microwave reactor, and exhibiting two different arrangements for the 9Accm ligands, described as >cis>(2) and >trans>(1). The study of the similarities/differences of the magnetic, luminescent and surface behaviors of the two new species, 1 and 2, is the main objective of the present work. The determined single-crystal structures of both compounds are the only Co-CCMoid structures described in the literature so far. Both compounds exhibit large positive D values, that of 1 (D = +74 cm) being three times larger than that of 2 (D = +24 cm), and behave as mononuclear Single-Molecule Magnets (SMMs) in the presence of an external magnetic field. Their similar structures but different anisotropy and SMM characteristics provide, for the first time, deep insight on the spin-orbital effects thanks to the use of CASSCF/NEVPT2 calculations implementing such contributions. Further magnetic studies were performed in solution by means of paramagnetic H NMR, where both compounds (1 and 2) are stable in CDCl and display high symmetry. Paramagnetic NMR appears to be a useful diagnostic tool for the identification of such molecules in solution, where the resonance values found for the methine group (-CH-) of 9Accm vary significantly depending on the cis or trans disposition of the ligands. Fluorescence studies show that both systems display chelation enhancement of quenching (CHEQ) with regard to the free ligand, while 1 and 2 display similar quantum yields. Deposition of 1-2 on HOPG and Si(100) surfaces using spin-coating was studied using AFM; UV photoemission experiments under the same conditions display 2 as the most robust system. The measured occupied density of states of 2 with UV photoemission is in excellent agreement with theoretical DFT calculations.This work was supported by the MICINN (Spain) (Projects CTQ2012-32247, CTQ2011-23862-C02-01, MAT2012-38319-C02 and MAT2013-47869-C4-2-P). ICN2 acknowledges support from the Severo Ochoa Program (MINECO, Grant SEV-2013-0295). ER thanks Generalitat de Catalunya (ICREA Academia). The Advanced Light Source (S. J. T.) is supported by the Director, Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy under Contract DE-AC0205CH11231.Peer ReviewedRoyal Society of Chemistry (UK)Generalitat de CatalunyaMinisterio de Economía y Competitividad (España)Ministerio de Ciencia e Innovación (España)Department of Energy (US)Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]2018201820162018info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/159710reponame: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/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/MAT2013-47869-C4-2-Pinfo:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/SEV-2013-0295https://doi.org/10.1039/C5SC03298ASíinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/1597102026-05-22T06:33:51Z
dc.title.none.fl_str_mv Multiscale study of mononuclear CoII SMMs based on curcuminoid ligands
title Multiscale study of mononuclear CoII SMMs based on curcuminoid ligands
spellingShingle Multiscale study of mononuclear CoII SMMs based on curcuminoid ligands
Diaz Torres, Raul
title_short Multiscale study of mononuclear CoII SMMs based on curcuminoid ligands
title_full Multiscale study of mononuclear CoII SMMs based on curcuminoid ligands
title_fullStr Multiscale study of mononuclear CoII SMMs based on curcuminoid ligands
title_full_unstemmed Multiscale study of mononuclear CoII SMMs based on curcuminoid ligands
title_sort Multiscale study of mononuclear CoII SMMs based on curcuminoid ligands
dc.creator.none.fl_str_mv Diaz Torres, Raul
Roubeau, Olivier
Sorrenti, Alessandro
Teat, Simon J.
Fraxedas, J.
Aliaga Alcalde, Nuria
author Diaz Torres, Raul
author_facet Diaz Torres, Raul
Roubeau, Olivier
Sorrenti, Alessandro
Teat, Simon J.
Fraxedas, J.
Aliaga Alcalde, Nuria
author_role author
author2 Roubeau, Olivier
Sorrenti, Alessandro
Teat, Simon J.
Fraxedas, J.
Aliaga Alcalde, Nuria
author2_role author
author
author
author
author
dc.contributor.none.fl_str_mv Generalitat de Catalunya
Ministerio de Economía y Competitividad (España)
Ministerio de Ciencia e Innovación (España)
Department of Energy (US)
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
description Edge article.-- et al.
publishDate 2016
dc.date.none.fl_str_mv 2016
2018
2018
2018
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/10261/159710
url http://hdl.handle.net/10261/159710
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/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/MAT2013-47869-C4-2-P
info:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/SEV-2013-0295
https://doi.org/10.1039/C5SC03298A
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Royal Society of Chemistry (UK)
publisher.none.fl_str_mv Royal Society of Chemistry (UK)
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
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