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.