RT Journal Article
T1 An experimental and computational study on the material dispersion of 1-alkyl-3-methylimidazolium tetrafluoroborate ionic liquids
A1 Rodríguez-Fernández, Carlos Damián
A1 Arosa Lobato, Yago
A1 Algnamat, Bilal Saleh Mohammad
A1 López Lago, María Elena
A1 Fuente Carballo, Raúl de la
K1 Alkyls
K1 Ionic liquids
K1 Methylimidazolium tetrafluoroborate
AB The material dispersion of the [Ckmim][BF4] (k = 2, 3, 4, 6, 7, 8, 10) family of ionic liquids is measured at several temperatures over a broad spectral range from 300 nm to 1550 nm. The experimental curves are fitted to a modified three-resonance Sellmeier model to understand the effects of temperature and alkyl chain length on the dispersion behaviour. From the parameters of the fitting, we analyze the influence that the different constituents of these ionic liquids have on the dispersion behaviour. In addition, a semi-empirical approach combining simulated electronic polarizabilities and experimental densities for predicting the material dispersion is successfully tested by using a direct comparison with the experimental results. The limitations of this method are analyzed in terms of the molecular structure of the ionic liquids. The results of this work aim to increase our knowledge about how the molecular structure of an ionic liquid influences its material dispersion. Understanding this influence is fundamental to producing ionic liquids with tailored optical properties.
PB Royal Society of Chemistry
SN 1463-9076
YR 2020
FD 2020-05-22
LK http://hdl.handle.net/10347/32130
UL http://hdl.handle.net/10347/32130
LA eng
NO Rodríguez-Fernández, C.D., Arosa, Y., Algnamat, B., López Lago, E., Fuente, R. de la. (2020). An experimental and computational study on the material dispersion of 1-alkyl-3-methylimidazolium tetrafluoroborate ionic liquids, "Phys. Chem. Chem. Phys.", 22, 14061-14076
NO This work was supported by the Ministerio de Economía y Competitividad (MINECO) and FEDER Program through the projects (MAT2017-89239-C2-1-P); Xunta de Galicia and FEDER (AGRU 2015/11 and GRC ED431C 2016/001, ED431D 2017/06, ED431E2018/08). C. D. R. F. acknowledges the support of Xunta de Galicia through the grant ED481A-2018/032. 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.
DS Minerva
RD 28 abr 2026