Abstract
The liquid–vacuum interface was investigated for a ionic liquid (IL) mixture containing 1-ethyl-3-methylimidazolium acetate, [C2MIM][OAc], and 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide, [C2MIM][TFSI]. Herein, we detail a quantitative connection between molecular simulations and angle-resolved X-ray photoemission spectroscopy for an IL–vacuum interface. Results show that for a mixture with a low concentration of [TFSI]−, the anion [OAc]− is slightly depleted from the interface, whereas the [TFSI]− anion is significantly enhanced relative to the bulk. Both experiments and simulations reveal that the mole fraction of [TFSI]− increases significantly from the bulk value in the top 17 Å. Furthermore, simulations show that [TFSI]− has a preferred orientation at the liquid–vacuum interface.
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