Tailoring refractive index dispersion in ionic liquids: The influence of charge delocalization in cations
| UDC.coleccion | Investigación | es_ES |
| UDC.departamento | Física e Ciencias da Terra | es_ES |
| UDC.grupoInv | Mesturas | es_ES |
| UDC.journalTitle | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | es_ES |
| UDC.startPage | Article 124964 | es_ES |
| UDC.volume | 324 | es_ES |
| dc.contributor.author | Rodríguez-Fernández, Carlos Damián | |
| dc.contributor.author | Doval, Alejandro | |
| dc.contributor.author | Arosa, Yago | |
| dc.contributor.author | González-Núñez, Héctor | |
| dc.contributor.author | López Lago, Elena | |
| dc.contributor.author | Fuente, Raúl de la | |
| dc.date.accessioned | 2025-03-07T17:54:37Z | |
| dc.date.available | 2025-03-07T17:54:37Z | |
| dc.date.issued | 2025 | |
| dc.description | Funding 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 technologies | es_ES |
| dc.description.sponsorship | This 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.sponsorship | Xunta de Galicia; GRC 508 ED431C 2020/10 | es_ES |
| dc.description.sponsorship | Xunta de Galicia; ED481B-2024-101 | es_ES |
| dc.description.sponsorship | Xunta de Galicia; ED481B-2021-027 | es_ES |
| dc.description.sponsorship | Xunta de Galicia; ED481D-2024-001 | es_ES |
| dc.identifier.citation | Rodríguez-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.2024.124964 | es_ES |
| dc.identifier.doi | 10.1016/j.saa.2024.124964 | |
| dc.identifier.uri | http://hdl.handle.net/2183/41332 | |
| dc.language.iso | eng | es_ES |
| dc.publisher | Elsevier | es_ES |
| dc.relation.projectID | info:eu-repo/grantAgreement/MUNI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/FPU21%2F01302/ES | es_ES |
| dc.relation.uri | https://doi.org/10.1016/j.saa.2024.124964 | es_ES |
| dc.rights | Creative Commons CC-BY-NC-ND license | es_ES |
| dc.rights.accessRights | open access | es_ES |
| dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/3.0/es/ | * |
| dc.subject | Ionic liquids | es_ES |
| dc.subject | Refractive index | es_ES |
| dc.subject | Dispersion | es_ES |
| dc.subject | Electronic polarizability | es_ES |
| dc.subject | Charge delocalization | es_ES |
| dc.subject | Aromaticity | es_ES |
| dc.subject | Charge transfer | es_ES |
| dc.title | Tailoring refractive index dispersion in ionic liquids: The influence of charge delocalization in cations | es_ES |
| dc.type | journal article | es_ES |
| dspace.entity.type | Publication | |
| relation.isAuthorOfPublication | ea7590f3-eda0-4beb-8195-9098508a6a5b | |
| relation.isAuthorOfPublication.latestForDiscovery | ea7590f3-eda0-4beb-8195-9098508a6a5b |
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