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. 2023 Jul 11;127(28):6342–6353. doi: 10.1021/acs.jpcb.3c02604

Figure 6.

Figure 6

Spatial distribution functions computed with the TRAVIS software87 for atoms in NTf2 around Bmim+ and BmPyrr+ at 400 K. Left and right panels are at the same isovalue. We see from these figures that there is a large and directional probability of finding anions on one side of the Bmim+ ring, but the distribution around BmPyrr+ is much more symmetrical and multidirectional. When the isovalue is increased in the inset, the figure for Bmim+ almost does not change, whereas BmPyrr+ has almost no contributions at this level highlighting the difference in the angular accumulation of the anions around each of the cations.