RT Journal Article
T1 Tailoring refractive index dispersion in ionic liquids: the influence of charge delocalization in cations
A1 Rodríguez-Fernández, Carlos Damián
A1 Doval Casas, Alejandro
A1 Arosa Lobato, Yago
A1 González Núñez, Héctor
A1 López Lago, María Elena
A1 Fuente Carballo, Raúl de la
K1 Ionic liquids
K1 Refractive index
K1 Dispersion
K1 Electronic polarizability
K1 Charge delocalization
K1 Aromaticity
K1 Charge transfer
AB 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(trifluoromethylsulfonyl)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 heterocycles 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.
PB Elsevier
YR 2024
FD 2024-08-14
LK https://hdl.handle.net/10347/43041
UL https://hdl.handle.net/10347/43041
LA eng
NO Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Volume 324, 5 January 2025, 124964
NO 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.
DS Minerva
RD 30 abr 2026