Tuning the 1H NMR Paramagnetic Relaxation Enhancement and Local Order of [Aliquat]+-Based Systems Mixed with DMSO
Autor(a) principal: | |
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Data de Publicação: | 2021 |
Outros Autores: | , , , , , , , , |
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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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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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:RCAAP2024-05-22T17:58:51Zoai:run.unl.pt:10362/131971Portal AgregadorONGhttps://www.rcaap.pt/oai/openairemluisa.alvim@gmail.comopendoar:71602024-05-22T17:58:51Repositório 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 |
mluisa.alvim@gmail.com |
_version_ |
1817545841595908097 |