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Tuning the 1H NMR paramagnetic relaxation enhancement and local order of [Aliquat]+-based systems mixed with DMSO

2021-01Journal article Open access
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dc.contributor.authorCordeiro, Rui
dc.contributor.authorBeira, Maria
dc.contributor.authorCruz, Carlos
dc.contributor.authorFigueirinhas, João
dc.contributor.authorCorvo, Marta C.
dc.contributor.authorAlmeida, Pedro L.
dc.contributor.authorRosatella, Andreia
dc.contributor.authorMateus Afonso, Carlos Alberto
dc.contributor.authorDaniel, Carla
dc.contributor.authorSebastião, Pedro
dc.date.accessioned2021-03-01T10:53:18Z
dc.date.available2021-03-01T10:53:18Z
dc.date.issued2021-01
dc.description.abstractUnderstanding the behavior of a chemical compound at a molecular level is fundamental, not only to explain its macroscopic properties, but also to enable the control and optimization of these properties. The present work aims to characterize a set of systems based on the ionic liquids [Aliquat][Cl] and [Aliquat][FeCl4] and on mixtures of these with different concentrations of DMSO by means of H-1 NMR relaxometry, diffusometry and X-ray diffractometry. Without DMSO, the compounds reveal locally ordered domains, which are large enough to induce order fluctuation as a significant relaxation pathway, and present paramagnetic relaxation enhancement for the [Aliquat][Cl] and [Aliquat][FeCl4] mixture. The addition of DMSO provides a way of tuning both the local order of these systems and the relaxation enhancement produced by the tetrachloroferrate anion. Very small DMSO volume concentrations (at least up to 1%) lead to enhanced paramagnetic relaxation without compromising the locally ordered domains. Larger DMSO concentrations gradually destroy these domains and reduce the effect of paramagnetic relaxation, while solvating the ions present in the mixtures. The paramagnetic relaxation was explained as a correlated combination of inner and outer-sphere mechanisms, in line with the size and structure differences between cation and anion. This study presents a robust method of characterizing paramagnetic ionic systems and obtaining a consistent analysis for a large set of samples having different co-solvent concentrations.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationCORDEIRO, Rui; [et al] – Tuning the 1H NMR paramagnetic relaxation enhancement and local order of [Aliquat]+-based systems mixed with DMSO. International Journal of Molecular Sciences. eISSN 1422-0067. Vol. 22, N.º 2 (2021), pp. 1-18pt_PT
dc.identifier.doi10.3390/ijms22020706pt_PT
dc.identifier.eissn1422-0067
dc.identifier.urihttp://hdl.handle.net/10400.21/12993
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherMDPIpt_PT
dc.relationUID/CTM/04540/2019 - FCTpt_PT
dc.relationUID/CTM/50025/2019 - FCTpt_PT
dc.relationUID/QUI/50006/2019 - FCTpt_PT
dc.relationUIDB/50025/2020-2023 - FCTpt_PT
dc.relationUID/DTP/04138/2020 - FCTpt_PT
dc.relationM-ERA-NET2/0006/2019 - European Commissionpt_PT
dc.relationStudy of NMR superoaramagnetic relaxation effects in magnetic ionic liquids
dc.subjectmagnetic ionic liquidspt_PT
dc.subjectorder fluctuationspt_PT
dc.subjectparamagnetic relaxation enhancementpt_PT
dc.subjectH-1 NMRpt_PT
dc.subjectwide angle X-raypt_PT
dc.titleTuning the 1H NMR paramagnetic relaxation enhancement and local order of [Aliquat]+-based systems mixed with DMSOpt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitleStudy of NMR superoaramagnetic relaxation effects in magnetic ionic liquids
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/OE/PD%2FBD%2F142858%2F2018/PT
oaire.citation.endPage18pt_PT
oaire.citation.issue2pt_PT
oaire.citation.startPage1pt_PT
oaire.citation.titleInternational Journal of Molecular Sciencespt_PT
oaire.citation.volume22pt_PT
oaire.fundingStreamOE
person.familyNameCordeiro
person.familyNameBeira
person.familyNamedos Santos Rodrigues da Cruz
person.familyNameFigueirinhas
person.familyNameCorvo
person.familyNameMarques de Almeida
person.familyNameRosatella
person.familyNameMateus Afonso
person.familyNameDaniel
person.familyNameOliveira Sebastião
person.givenNameRui
person.givenNameMaria J.
person.givenNameCarlos Manuel
person.givenNameJoão
person.givenNameMarta Cristina Parracho Cançado
person.givenNamePedro
person.givenNameAndreia
person.givenNameCarlos Alberto
person.givenNameCarla
person.givenNamePedro José
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person.identifier.ridA-4278-2013
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person.identifier.ridM-5674-2013
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person.identifier.scopus-author-id55909453200
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person.identifier.scopus-author-id34870460100
person.identifier.scopus-author-id19336779300
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project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsopenAccesspt_PT
rcaap.typearticlept_PT
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