Modeling the Temperature-Dependent Material Dispersion of Imidazolium-Based Ionic Liquids in the VIS-NIR

A thorough analysis of the refractive index of eleven 1-alkyl-3-methylimidazolium-based ionic liquids with three different anions, tetrafluoroborate bis(trifluoromethylsulfonyl)imide, and trifluoromethanesulfonate, is reported. Refractive indices were estimated, in the temperature interval from 298.15 to 323.15 K, using an Abbe refractometer to determine the value at the sodium D line and white light spectral interferometry to obtain dispersion in the range of wavelengths from 400 to 1000 nm. The first part of the manuscript is focused on the dependence of refractive index with wavelength, temperature, cation alkyl chain length, and anion nature. Once the main features are detailed, and in order to explain the experimental trends, a model for the refractive index is considered where its square is expressed by a single resonance Sellmeier dispersion formula. This formula has two coefficients: the first one identifies the position of the resonance in the spectral axis, and the second one specifies its strength. It was found that, for a given compound, the resonances position is independent of temperature, while the strength varies linearly with it. This model reproduces successfully the experimental data within the refractive index uncertainty. Furthermore, the model allows calculating the thermo-optic coefficient and its wavelength dependence.
Comment: Accepted version, 28 pages, 9 figures, 1 table, the Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acs.jpcc.8b08971