Tailoring refractive index dispersion in ionic liquids: The influence of charge delocalization in cations

UDC.coleccionInvestigaciónes_ES
UDC.departamentoFísica e Ciencias da Terraes_ES
UDC.grupoInvMesturases_ES
UDC.journalTitleSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopyes_ES
UDC.startPageArticle 124964es_ES
UDC.volume324es_ES
dc.contributor.authorRodríguez-Fernández, Carlos Damián
dc.contributor.authorDoval, Alejandro
dc.contributor.authorArosa, Yago
dc.contributor.authorGonzález-Núñez, Héctor
dc.contributor.authorLópez Lago, Elena
dc.contributor.authorFuente, Raúl de la
dc.date.accessioned2025-03-07T17:54:37Z
dc.date.available2025-03-07T17:54:37Z
dc.date.issued2025
dc.descriptionFunding for open access charge: Universidade da Coruña/CISUG.es_ES
dc.description.abstract[Abstract] In this work, we study the contributions that different molecular blocks have in the wavelength-dependence of the refractive index in ionic liquids. The ionic liquids chosen for this work are combinations of the bis(tri- fluoromethylsulfonyl)imide anion with cations based on four different heterocycles with different extents of charge delocalization. The analysis is performed in terms of the experimental electronic polarizability, which is obtained by combining measurements of refractive index curves and densities via the Lorentz-Lorenz equation. Exploiting the additivity of electronic polarizability in ionic liquids, the contribution of the anion and the het- erocycles of the cations is separated from that of the alkyl chains. Our results show important differences in these contributions, revealing a key influence of the charge delocalization in the cationic rings on the behavior of the refractive index dispersion. The understanding of how different parts of ionic liquids affect their refractive index dependence on wavelength would allow to gain precise control of this magnitude, enabling the development of customized optical materials for diverse applications in photonics and sensing technologieses_ES
dc.description.sponsorshipThis work was funded by Xunta de Galicia and FEDER (GRC 508 ED431C 2020/10). CDRF acknowledges the postdoctoral fellowship ED481B-2024-101 from Xunta de Galicia. AD would like to thank Ministerio de Universidades for the support through the grant FPU21/01302. YA acknowledges the postdoctoral fellowships ED481B-2021-027 and ED481D-2024-001 from Xunta de Galicia. We also thank the Centro de Supercomputación de Galicia (CESGA) facility, Santiago de Compostela, Galicia, Spain, for providing the computational resources employed in this work. Funding for open access charge: Universidade da Coruña/CISUG.es_ES
dc.description.sponsorshipXunta de Galicia; GRC 508 ED431C 2020/10es_ES
dc.description.sponsorshipXunta de Galicia; ED481B-2024-101es_ES
dc.description.sponsorshipXunta de Galicia; ED481B-2021-027es_ES
dc.description.sponsorshipXunta de Galicia; ED481D-2024-001es_ES
dc.identifier.citationRodríguez-Fernández, C. D., Doval, A., Arosa, Y., González-Núñez, H., López-Lago, E., & Fuente, R. de la (2025). Tailoring refractive index dispersion in ionic liquids: The influence of charge delocalization in cations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 324, 124964. https://doi.org/10.1016/j.saa.2024.124964es_ES
dc.identifier.doi10.1016/j.saa.2024.124964
dc.identifier.urihttp://hdl.handle.net/2183/41332
dc.language.isoenges_ES
dc.publisherElsevieres_ES
dc.relation.projectIDinfo:eu-repo/grantAgreement/MUNI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/FPU21%2F01302/ESes_ES
dc.relation.urihttps://doi.org/10.1016/j.saa.2024.124964es_ES
dc.rightsCreative Commons CC-BY-NC-ND licensees_ES
dc.rights.accessRightsopen accesses_ES
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/*
dc.subjectIonic liquidses_ES
dc.subjectRefractive indexes_ES
dc.subjectDispersiones_ES
dc.subjectElectronic polarizabilityes_ES
dc.subjectCharge delocalizationes_ES
dc.subjectAromaticityes_ES
dc.subjectCharge transferes_ES
dc.titleTailoring refractive index dispersion in ionic liquids: The influence of charge delocalization in cationses_ES
dc.typejournal articlees_ES
dspace.entity.typePublication
relation.isAuthorOfPublicationea7590f3-eda0-4beb-8195-9098508a6a5b
relation.isAuthorOfPublication.latestForDiscoveryea7590f3-eda0-4beb-8195-9098508a6a5b

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