Tuning the 1H NMR Paramagnetic Relaxation Enhancement and Local Order of [Aliquat]+-Based Systems Mixed with DMSO

Detalhes bibliográficos
Autor(a) principal: Cordeiro, Rui
Data de Publicação: 2021
Outros Autores: Beira, Maria J., Cruz, Carlos, Figueirinhas, João L, Corvo, Marta C, Almeida, Pedro L, Rosatella, Andreia A., Afonso, Carlos A. M., Daniel, Carla I., Sebastião, Pedro J.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10362/131971
Resumo: UID/DTP/04138/2020 UIDB/50025/2020-2023 PTNMR (2017-2020) M-ERA-NET2/0006/2019 (2017-2020)
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spelling Tuning the 1H NMR Paramagnetic Relaxation Enhancement and Local Order of [Aliquat]+-Based Systems Mixed with DMSOH NMRMagnetic ionic liquidsOrder fluctuationsParamagnetic relaxation enhancementWide angle X-rayMolecular BiologySpectroscopyCatalysisInorganic ChemistryComputer Science ApplicationsPhysical and Theoretical ChemistryOrganic ChemistryUID/DTP/04138/2020 UIDB/50025/2020-2023 PTNMR (2017-2020) M-ERA-NET2/0006/2019 (2017-2020)Understanding 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 1H 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.CENIMAT-i3N - Centro de Investigação de Materiais (Lab. Associado I3N)LAQV@REQUIMTEDQ - Departamento de QuímicaRUNCordeiro, RuiBeira, Maria J.Cruz, CarlosFigueirinhas, João LCorvo, Marta CAlmeida, Pedro LRosatella, Andreia A.Afonso, Carlos A. M.Daniel, Carla I.Sebastião, Pedro J.2022-02-01T03:25:58Z2021-01-122021-01-12T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article18application/pdfhttp://hdl.handle.net/10362/131971eng1422-0067PURE: 27601480https://doi.org/10.3390/ijms22020706info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2024-03-11T05:10:34Zoai:run.unl.pt:10362/131971Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-20T03:47:17.815829Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse
dc.title.none.fl_str_mv Tuning the 1H NMR Paramagnetic Relaxation Enhancement and Local Order of [Aliquat]+-Based Systems Mixed with DMSO
title Tuning the 1H NMR Paramagnetic Relaxation Enhancement and Local Order of [Aliquat]+-Based Systems Mixed with DMSO
spellingShingle Tuning the 1H NMR Paramagnetic Relaxation Enhancement and Local Order of [Aliquat]+-Based Systems Mixed with DMSO
Cordeiro, Rui
H NMR
Magnetic ionic liquids
Order fluctuations
Paramagnetic relaxation enhancement
Wide angle X-ray
Molecular Biology
Spectroscopy
Catalysis
Inorganic Chemistry
Computer Science Applications
Physical and Theoretical Chemistry
Organic Chemistry
title_short Tuning the 1H NMR Paramagnetic Relaxation Enhancement and Local Order of [Aliquat]+-Based Systems Mixed with DMSO
title_full Tuning the 1H NMR Paramagnetic Relaxation Enhancement and Local Order of [Aliquat]+-Based Systems Mixed with DMSO
title_fullStr Tuning the 1H NMR Paramagnetic Relaxation Enhancement and Local Order of [Aliquat]+-Based Systems Mixed with DMSO
title_full_unstemmed Tuning the 1H NMR Paramagnetic Relaxation Enhancement and Local Order of [Aliquat]+-Based Systems Mixed with DMSO
title_sort Tuning the 1H NMR Paramagnetic Relaxation Enhancement and Local Order of [Aliquat]+-Based Systems Mixed with DMSO
author Cordeiro, Rui
author_facet Cordeiro, Rui
Beira, Maria J.
Cruz, Carlos
Figueirinhas, João L
Corvo, Marta C
Almeida, Pedro L
Rosatella, Andreia A.
Afonso, Carlos A. M.
Daniel, Carla I.
Sebastião, Pedro J.
author_role author
author2 Beira, Maria J.
Cruz, Carlos
Figueirinhas, João L
Corvo, Marta C
Almeida, Pedro L
Rosatella, Andreia A.
Afonso, Carlos A. M.
Daniel, Carla I.
Sebastião, Pedro J.
author2_role author
author
author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv CENIMAT-i3N - Centro de Investigação de Materiais (Lab. Associado I3N)
LAQV@REQUIMTE
DQ - Departamento de Química
RUN
dc.contributor.author.fl_str_mv Cordeiro, Rui
Beira, Maria J.
Cruz, Carlos
Figueirinhas, João L
Corvo, Marta C
Almeida, Pedro L
Rosatella, Andreia A.
Afonso, Carlos A. M.
Daniel, Carla I.
Sebastião, Pedro J.
dc.subject.por.fl_str_mv H NMR
Magnetic ionic liquids
Order fluctuations
Paramagnetic relaxation enhancement
Wide angle X-ray
Molecular Biology
Spectroscopy
Catalysis
Inorganic Chemistry
Computer Science Applications
Physical and Theoretical Chemistry
Organic Chemistry
topic H NMR
Magnetic ionic liquids
Order fluctuations
Paramagnetic relaxation enhancement
Wide angle X-ray
Molecular Biology
Spectroscopy
Catalysis
Inorganic Chemistry
Computer Science Applications
Physical and Theoretical Chemistry
Organic Chemistry
description UID/DTP/04138/2020 UIDB/50025/2020-2023 PTNMR (2017-2020) M-ERA-NET2/0006/2019 (2017-2020)
publishDate 2021
dc.date.none.fl_str_mv 2021-01-12
2021-01-12T00:00:00Z
2022-02-01T03:25:58Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/10362/131971
url http://hdl.handle.net/10362/131971
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 1422-0067
PURE: 27601480
https://doi.org/10.3390/ijms22020706
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 18
application/pdf
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron:RCAAP
instname_str Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron_str RCAAP
institution RCAAP
reponame_str Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
collection Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository.name.fl_str_mv Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
repository.mail.fl_str_mv
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