Fig. 8: Snapshots of the environment of choline in 5 and 33 mol% ChCl in glycerol.
From: Evolution of microscopic heterogeneity and dynamics in choline chloride-based deep eutectic solvents
a Snapshot from a CMD simulation of slow reorienting choline in 5 mol% ChCl. The white–red–tan molecule represents glycerol and the hydrogen–oxygen–carbon atoms, respectively. The white–red–aqua-blue molecule represents choline and the hydrogen–oxygen–carbon–nitrogen atoms, respectively. The lime green molecule is the chloride anion. Choline is “trapped” within homogeneous glycerol HBN. b Snapshot from a CMD simulation of fast reorienting choline in 33 mol% ChCl. Heterogeneities of species and charge alternation weaken the HBN significantly, liberating choline cations to more easily reorient within the HBN.
