3 papers
cond-mat.mtrl-sci2024
Charge delocalization and hyperpolarizability in ionic liquids
C. D. Rodriguez-Fernandez L. M. Varela, C. Schroder, E. Lopez Lago
In this work the role that charge delocalization plays in the non-linear optical response of ionic liquids is evaluated. The first hyperpolarizability for the non-linear process of…
physics.optics2024
Modeling the Temperature-Dependent Material Dispersion of Imidazolium-Based Ionic Liquids in the VIS-NIR
Y. Arosa, B. S. Algnamat, Rodriguez Fernandez C. D. +3
A thorough analysis of the refractive index of eleven 1-alkyl-3-methylimidazolium-based ionic liquids with three different anions, tetrafluoroborate bis(trifluoromethylsulfonyl)imi…
cond-mat.soft2024
Non-additive electronic polarizabilities of ionic liquids: Charge delocalization effects
C. D. Rodriguez-Fernandez, E. Lopez Lago, C. Schroder +1
Electronic charge delocalization on the molecular backbones of ionic liquid-forming ions substantially impacts their molecular polarizabilities. Density functional theory calculati…